Basic information
- Standard SMILES
COc1ccc(CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1- InChIKey
LGISUBWRYJNHFI-LJQANCHMSA-N- Molecular formula
- C20H25ClN2O4S
- Average molar mass
- 424.9 g/mol
- Monoisotopic mass
- 424.1223562
Names & identifiers
- Preferred name
- (2R)-2-[N-(4-Chlorobenzenesulfonyl)-N-(4-methoxybenzyl)amino]-4-methylpentanoic acid amide
- IUPAC
- (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]-4-methylpentanamide
Names & synonyms
CHEMBL2164125SCHEMBL1873282LGISUBWRYJNHFI-LJQANCHMSA-NBDBM50485806(2R)-2-[N-(4-Chlorobenzenesulfonyl)-N-(4-methoxybenzyl)amino]-4-methylpentanoic acid amide
Database identifiers
- PubChem CID
- 9867067
- ChEMBL
CHEMBL2164125
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 592
Related reactions
5 records
Compound notes
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