Basic information
- Standard SMILES
CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C2CCN(S(C)(=O)=O)CC2)CC1- InChIKey
VPJRMJUCRISEJM-UHFFFAOYSA-N- Molecular formula
- C25H32N2O5S2
- Average molar mass
- 504.7 g/mol
Names & identifiers
- Preferred name
- 3-[(1-Methanesulfonyl-piperidin-4-yl)-(4-methylcyclohexane-carbonyl)-amino]-5-phenyl-thiophene-2-carboxylic acid
- IUPAC
- 3-[(4-methylcyclohexanecarbonyl)-(1-methylsulfonylpiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylic acid
Names & synonyms
SCHEMBL2874899VPJRMJUCRISEJM-UHFFFAOYSA-N3-[(1-Methanesulfonyl-piperidin-4-yl)-(4-methylcyclohexane-carbonyl)-amino]-5-phenyl-thiophene-2-carboxylic acid
Database identifiers
- PubChem CID
- 10074867
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 823
Related reactions
4 records
Compound notes
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