Basic information
- Standard SMILES
O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cc3ccncc3)cc1)CCCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1- InChIKey
PSAPCYPNMBEGNF-UHFFFAOYSA-N- Molecular formula
- C32H32N4O5S2
- Average molar mass
- 616.8 g/mol
Names & identifiers
- Preferred name
- 2-{[3-(morpholin-4-ylsulfonyl)benzoyl]amino}-N-[4-(pyridin-4-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- IUPAC
- 2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Names & synonyms
SCHEMBL14659638PSAPCYPNMBEGNF-UHFFFAOYSA-N2-{[3-(morpholin-4-ylsulfonyl)benzoyl]amino}-N-[4-(pyridin-4-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Database identifiers
- PubChem CID
- 71238487
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
2 records
Compound notes
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