Benzenepropanamide, N-(2-chloro-5-((phenylamino)sulfonyl)phenyl)-2-(octadecyloxy)-beta-oxo-
Basic information
- CAS
68516-70-1- Standard SMILES
CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl- InChIKey
DFKPOYWYIKFZJL-UHFFFAOYSA-N- Molecular formula
- C39H53ClN2O5S
- Average molar mass
- 697.4 g/mol
- Monoisotopic mass
- 696.3363717
Names & identifiers
- Preferred name
- Benzenepropanamide, N-(2-chloro-5-((phenylamino)sulfonyl)phenyl)-2-(octadecyloxy)-beta-oxo-
- IUPAC
- N-[2-chloro-5-(phenylsulfamoyl)phenyl]-3-(2-octadecoxyphenyl)-3-oxopropanamide
- English name
- N-[5-(anilinosulphonyl)-2-chlorophenyl]-3-[o-(octadecyloxy)phenyl]-3-oxopropionamide
- Molecular formula
- C39H53ClN2O5S
- Molecular weight
- 697.36652
Names & synonyms
EINECS 271-172-4DTXSID0071592Benzenepropanamide, N-(2-chloro-5-((phenylamino)sulfonyl)phenyl)-2-(octadecyloxy)-beta-oxo-Benzenepropanamide, N-[2-chloro-5-[(phenylamino)sulfonyl]phenyl]-2-(octadecyloxy)-.beta.-oxo-N-(2-Chloro-5-(phenylaminosulfonyl)phenyl)-3-((2-octadecyloxy)phenyl)-3-oxopropanamideBenzenepropanamide, N-[2-chloro-5-[(phenylamino)sulfonyl]phenyl]-2-(octadecyloxy)-beta-oxo-RefChem:563577DTXCID604605868516-70-1n-[2-chloro-5-(phenylsulfamoyl)phenyl]-3-[2-(octadecyloxy)phenyl]-3-oxopropanamideDFKPOYWYIKFZJL-UHFFFAOYSA-NNS00036626
Show more names
N-[5-(anilinosulphonyl)-2-chlorophenyl]-3-[o-(octadecyloxy)phenyl]-3-oxopropionamideN-[2-Chloro-5-[(phenylamino)sulfonyl]phenyl]-2-(octadecyloxy)-β-oxobenzenepropanamide
N-(5-(Anilinosulphonyl)-2-chlorophenyl)-3-(o-(octadecyloxy)phenyl)-3-oxopropionamide
Properties
Computed structural properties
- XLogP
- 13.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 25
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 983
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzenepropanamide, N-[2-chloro-5-[(phenylamino)sulfonyl]phenyl]-2-(octadecyloxy)-.beta.-oxo- (68516-70-1)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenepropanamide, N-[2-chloro-5-[(phenylamino)sulfonyl]phenyl]-2-(octadecyloxy)-.beta.-oxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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