Basic information
- Standard SMILES
NS(=O)(=O)c1ccc(CCN(Cc2cccc(-c3cccc(C(=O)NCCN4CCCC4)c3)c2)C(=O)/C=C/c2ccccc2)cc1- InChIKey
LKXWMBBLHPSPRC-KNTRCKAVSA-N- Molecular formula
- C37H40N4O4S
- Average molar mass
- 636.8 g/mol
Names & identifiers
- Preferred name
- 3'-{({2-[4-(Aminosulfonyl)phenyl]ethyl}[(E)-3-phenyl-2-propenoyl]amino)methyl}-N-[2-(1-pyrrolidinyl)ethyl][1,1'-biphenyl]-3-carboxamide
- IUPAC
- 3-[3-[[[(E)-3-phenylprop-2-enoyl]-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
Names & synonyms
SCHEMBL5578083LKXWMBBLHPSPRC-KNTRCKAVSA-N3'-{({2-[4-(Aminosulfonyl)phenyl]ethyl}[(E)-3-phenyl-2-propenoyl]amino) methyl}-N-[2-(1-pyrrolidinyl)ethyl][1,1'-biphenyl]-3-carboxamide3'-{({2-[4-(Aminosulfonyl)phenyl]ethyl}[(E)-3-phenyl-2-propenoyl]amino)-methyl}-N-[2-(1-pyrrolidinyl)ethyl][1,1'-biphenyl]-3-carboxamide3'-{({2-[4-(Aminosulfonyl)phenyl]ethyl}[(E)-3-phenyl-2-propenoyl]amino)methyl}-N-[2-(1-pyrrolidinyl)ethyl][1,1'-biphenyl]-3-carboxamide
Database identifiers
- PubChem CID
- 21986993
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
2 records
Compound notes
Loading…