Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]-
Basic information
- CAS
56912-29-9- Standard SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C(Oc2ccc(S(=O)(=O)c3ccc(OCc4ccccc4)cc3)cc2)C(=O)C(C)(C)C)c1- InChIKey
WUJTWJZEQRSSPU-UHFFFAOYSA-N- Molecular formula
- C48H63ClN2O8S2
- Average molar mass
- 895.6 g/mol
- Monoisotopic mass
- 894.371437
Names & identifiers
- Preferred name
- Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]-
- IUPAC
- N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide
- English name
- N-[2-chloro-5-[(hexadecylsulphonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulphonyl]phenoxy]valeramide
- Molecular formula
- C48H63ClN2O8S2
- Molecular weight
- 895.60542
Names & synonyms
EINECS 260-427-5Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]-DTXSID60886206Pentanamide, N-(2-chloro-5-((hexadecylsulfonyl)amino)phenyl)-4,4-dimethyl-3-oxo-2-(4-((4-(phenylmethoxy)phenyl)sulfonyl)phenoxy)-RefChem:859877DTXCID10102554556912-29-92-(4-((4-(benzyloxy)phenyl)sulfonyl)phenoxy)-N-(2-chloro-5-(hexadecylsulfonamido)phenyl)-4,4-dimethyl-3-oxopentanamideSCHEMBL10606835WUJTWJZEQRSSPU-UHFFFAOYSA-NNS000552742-{4-[4-(Benzyloxy)benzene-1-sulfonyl]phenoxy}-N-[2-chloro-5-(hexadecane-1-sulfonamido)phenyl]-4,4-dimethyl-3-oxopentanamide
Show more names
N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl] PentanamideN-[2-Chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]pentanamideN-[2-chloro-5-[(hexadecylsulphonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulphonyl]phenoxy]valeramide
Properties
Computed structural properties
- XLogP
- 14.3
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 28
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,470
Physicochemical properties
- EPA Substance Registry System
- 2 · Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]- (56912-29-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]-: ACTIVE
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Compound notes
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