Basic information
- Standard SMILES
Cc1cccc(S(=O)(=O)Nc2ccc(C(C)C)n(CC(=O)O)c2=O)c1- InChIKey
WCPANWMPPUHOAF-UHFFFAOYSA-N- Molecular formula
- C17H20N2O5S
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.10929292
Names & identifiers
- Preferred name
- 3-(3-Methylphenylsulfonyl)amino-6-isopropyl-1-(carboxymethyl)-2-pyridinone
- IUPAC
- 2-[3-[(3-methylphenyl)sulfonylamino]-2-oxo-6-propan-2-yl-1-pyridinyl]acetic acid
Names & synonyms
SCHEMBL5113678WCPANWMPPUHOAF-UHFFFAOYSA-N3-(3-Methylphenylsulfonyl)amino-6-isopropyl-1-(carboxymethyl)-2-pyridinone
Database identifiers
- PubChem CID
- 22178671
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 703
Related reactions
8 records
Compound notes
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