Basic information
- Standard SMILES
C[C@@H](NC(=O)COc1ccc(C(C)(C)C)c(Cl)c1)c1ccc(NS(C)(=O)=O)cc1- InChIKey
WDMYLRSURXWSIZ-CQSZACIVSA-N- Molecular formula
- C21H27ClN2O4S
- Average molar mass
- 439 g/mol
- Monoisotopic mass
- 438.1380062
Names & identifiers
- Preferred name
- 2-(4-tert-Butyl-3-chlorophenoxy)-N-((1R)-1-{4-[(methylsulfonyl)amino]phenyl}ethyl)acetamide
- IUPAC
- 2-(4-tert-butyl-3-chlorophenoxy)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]acetamide
Names & synonyms
SCHEMBL4640637WDMYLRSURXWSIZ-CQSZACIVSA-N2-(4-tert-Butyl-3-chlorophenoxy)-N-((1R)-1-{4-[(methylsulfonyl)amino]phenyl}ethyl)acetamide
Database identifiers
- PubChem CID
- 11626315
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 636
Related reactions
1 records
Compound notes
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