Basic information
- Standard SMILES
COc1ccccc1N(CC(=O)N(CCC#N)Cc1ccccc1)S(=O)(=O)c1ccccc1C- InChIKey
WPOUGPVAWVOFRV-UHFFFAOYSA-N- Molecular formula
- C26H27N3O4S
- Average molar mass
- 477.6 g/mol
Names & identifiers
- Preferred name
- N-Benzyl-N-(2-cyano-ethyl)-2-[(2-methoxy-phenyl)-(toluene-2-sulfonyl)-amino]-acetamide
- IUPAC
- N-benzyl-N-(2-cyanoethyl)-2-(2-methoxy-N-(2-methylphenyl)sulfonylanilino)acetamide
Names & synonyms
SCHEMBL1036896WPOUGPVAWVOFRV-UHFFFAOYSA-NN-Benzyl-N-(2-cyano-ethyl)-2-[(2-methoxy-phenyl)-(toluene-2-sulfonyl)-amino]-acetamide
Database identifiers
- PubChem CID
- 58978424
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 797
Related reactions
2 records
Compound notes
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