Basic information
- Standard SMILES
COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CC=C(C)C1)C(C)C- InChIKey
OGKIRNSRYSDIBW-UHFFFAOYSA-N- Molecular formula
- C22H25NO3S
- Average molar mass
- 383.5 g/mol
Names & identifiers
- Preferred name
- 3-[Isopropyl-(3-methyl-cyclopent-3-enecarbonyl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 3-[(3-methylcyclopent-3-ene-1-carbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylate
Names & synonyms
SCHEMBL2158466OGKIRNSRYSDIBW-UHFFFAOYSA-N3-[Isopropyl-(3-methyl-cyclopent-3-enecarbonyl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 67299302
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 582
Related reactions
6 records
Compound notes
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