Basic information
- CAS
7147-72-0- Standard SMILES
Cc1ccc(S(=O)(=O)NC(CCC(=O)Nc2cccc(C)c2)C(=O)O)cc1- InChIKey
FXUMPXIEOYDDIN-UHFFFAOYSA-N- Molecular formula
- C19H22N2O5S
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.12494298
Names & identifiers
- Preferred name
- 5-(3-Methylanilino)-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
- IUPAC
- 5-(3-methylanilino)-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
Names & synonyms
NSC52466NSC-524667147-72-0DS-0146754-[(3-methylphenyl)carbamoyl]-2-[(4-methylphenyl)sulfonylamino]butanoic acid
Database identifiers
- CAS
7147-72-0- PubChem CID
- 243178
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 608
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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