Basic information
- Standard SMILES
COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(CCC(N)=O)c2ccc(C(=O)NCC3CCCC3)cc12- InChIKey
FVDBCOXWLFDLEE-UHFFFAOYSA-N- Molecular formula
- C34H38N4O6S
- Average molar mass
- 630.8 g/mol
Names & identifiers
- Preferred name
- N-[4-[1-(2-Carbamoylethyl)-5-(N-cyclopentylmethyl carbamoyl)indol-3-ylmethyl]-3-methoxybenzoyl]-2-methylbenzenesulphonamide
- IUPAC
- 1-(3-amino-3-oxopropyl)-N-(cyclopentylmethyl)-3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]indole-5-carboxamide
Names & synonyms
SCHEMBL9668017FVDBCOXWLFDLEE-UHFFFAOYSA-NN-[4-[1-(2-Carbamoylethyl)-5-(N-cyclopentylmethyl carbamoyl)indol-3-ylmethyl]-3-methoxybenzoyl]-2-methylbenzenesulphonamideN-[4-[1-(2-Carbamoylethyl)-5-(N-cyclopentylmethylcarbamoyl)indol-3-ylmethyl]-3-methoxybenzoyl]-2-methylbenzenesulphonamide
Database identifiers
- PubChem CID
- 19822468
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
4 records
Compound notes
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