Basic information
- Standard SMILES
COc1cc(C(=O)NS(=O)(=O)c2ccccc2C#CCCCO)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12- InChIKey
KNAKEBILBBXOPJ-UHFFFAOYSA-N- Molecular formula
- C35H37N3O7S
- Average molar mass
- 643.7 g/mol
Names & identifiers
- Preferred name
- N-[4-[5-(Cyclopentyloxycarbonylamino)-1-methyl-indol-3-yl-methyl]-3-methoxybenzoyl]-2-(5-hydroxy-pent-1-yn-1-yl)-benzenesulfonamide
- IUPAC
- cyclopentyl N-[3-[[4-[[2-(5-hydroxypent-1-ynyl)phenyl]sulfonylcarbamoyl]-2-methoxyphenyl]methyl]-1-methylindol-5-yl]carbamate
Names & synonyms
SCHEMBL9587040KNAKEBILBBXOPJ-UHFFFAOYSA-NN-[4-[5-(Cyclopentyloxycarbonylamino)-1-methyl-indol-3-yl-methyl]-3-methoxybenzoyl]-2-(5-hydroxy-pent-1-yn-1-yl)-benzenesulfonamide
Database identifiers
- PubChem CID
- 19793592
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
2 records
Compound notes
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