Basic information
- Standard SMILES
Cc1ccccc1S(=O)(=O)NC(=O)c1ccc2c(ccn2Cc2cccc(NC(=O)CCC(C)C)c2)c1- InChIKey
IMRHXVZNSQSLOX-UHFFFAOYSA-N- Molecular formula
- C29H31N3O4S
- Average molar mass
- 517.6 g/mol
- Monoisotopic mass
- 517.20352765
Names & identifiers
- Preferred name
- N-{1-[3-(3-methylbutylcarbonylamino)benzyl]indol-5-ylcarbonyl}-2-methylbenzene sulphonamide
- IUPAC
- 1-[[3-(4-methylpentanoylamino)phenyl]methyl]-N-(2-methylphenyl)sulfonylindole-5-carboxamide
Names & synonyms
SCHEMBL9185687IMRHXVZNSQSLOX-UHFFFAOYSA-NN-{1-[3-(3-methylbutylcarbonylamino)benzyl]indol-5-ylcarbonyl}-2-methylbenzene sulphonamide
Database identifiers
- PubChem CID
- 19780409
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 886
Related reactions
1 records
Compound notes
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