Basic information
- CAS
54179-19-0- Standard SMILES
CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(NS(=O)(=O)c3ccc(N)cc3)c3ccccc3c2O)c(C(C)(C)CC)c1- InChIKey
FHJFJDVDDHVPJJ-UHFFFAOYSA-N- Molecular formula
- C37H47N3O5S
- Average molar mass
- 645.9 g/mol
- Monoisotopic mass
- 645.32364278
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxamide, 4-[[(4-aminophenyl)sulfonyl]amino]-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-
- IUPAC
- 4-[(4-aminophenyl)sulfonylamino]-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide
- English name
- 4-[[(4-Aminophenyl)sulfonyl]amino]-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-2-naphthalenecarboxamide
- Molecular formula
- C37H47N3O5S
- Molecular weight
- 645.85
Names & synonyms
2-Naphthalenecarboxamide, 4-[[(4-aminophenyl)sulfonyl]amino]-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-DTXSID30689182-Naphthalenecarboxamide, 4-(((4-aminophenyl)sulfonyl)amino)-N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-RefChem:476492DTXCID304161954179-19-0SCHEMBL11323234FHJFJDVDDHVPJJ-UHFFFAOYSA-N4-(4-Aminobenzene-1-sulfonamido)-N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxynaphthalene-2-carboxamide4-[[(4-Aminophenyl)sulfonyl]amino]-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-2-naphthalenecarboxamide
Database identifiers
- CAS
54179-19-0- PubChem CID
- 104702
- DTXSID
DTXSID3068918- Nikkaji
- J429.244H
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxamide, 4-[[(4-aminophenyl)sulfonyl]amino]-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy- (54179-19-0)
- 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 Information2-Naphthalenecarboxamide, 4-[[(4-aminophenyl)sulfonyl]amino]-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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