Basic information
- Standard SMILES
COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1)C1CCS(=O)CC1- InChIKey
RMVNVJVCNHTDFT-UHFFFAOYSA-N- Molecular formula
- C25H31NO4S2
- Average molar mass
- 473.7 g/mol
- Monoisotopic mass
- 473.16945082
Names & identifiers
- Preferred name
- 3-[(trans-4-Methyl-cyclohexanecarbonyl)-(1-oxo-hexahydro-1lambda*4*-thiopyran-4-yl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 3-[(4-methylcyclohexanecarbonyl)-(1-oxothian-4-yl)amino]-5-phenylthiophene-2-carboxylate
Names & synonyms
SCHEMBL5036851RMVNVJVCNHTDFT-XUVRHTQISA-N3-[(trans-4-methyl-cyclohexanecarbonyl)-(1-oxo-hexahydro-1lambda*4*-thiopyran-4-yl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester3-[(trans-4-methyl-cyclohexanecarbonyl)-(1-oxo-hexahydro-llambda*4*-thiopyran-4-yl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester3-[(trans-4-methyl-cyclohexanecarbonyl)-(1-oxo-tetrahydro-thiopyran-4-yl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 69288447
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 677
Related reactions
1 records
Compound notes
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