Basic information
- Standard SMILES
Cc1ccccc1N1CCC(NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCCC2)C(=O)C1- InChIKey
SXQSRMYUBFLHJB-UHFFFAOYSA-N- Molecular formula
- C28H31N3O3S
- Average molar mass
- 489.6 g/mol
Names & identifiers
- Preferred name
- 4-[N-[1-[N-(benzothiophen-2-ylcarbonyl)amino]cyclohexanecarbonyl]amino]-1-(2-methylphenyl)piperidin-3-one
- IUPAC
- N-[1-[[1-(2-methylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
Names & synonyms
SCHEMBL5099715SXQSRMYUBFLHJB-UHFFFAOYSA-N4-[N-[1-[N-(benzothiophen-2-ylcarbonyl)amino]cyclohexanecarbonyl]amino]-1-(2-methylphenyl)piperidin-3-one
Database identifiers
- PubChem CID
- 10435645
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 798
Related reactions
1 records
Compound notes
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