Basic information
- Standard SMILES
COC(=O)CC(CCc1ccc(NS(C)(=O)=O)cc1)c1cccc(C#N)c1- InChIKey
ZAICCEQCDGBJHG-UHFFFAOYSA-N- Molecular formula
- C20H22N2O4S
- Average molar mass
- 386.5 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(3-cyanophenyl)-5-[4-(methanesulfonamido)phenyl]pentanoate
- IUPAC
- methyl 3-(3-cyanophenyl)-5-[4-(methanesulfonamido)phenyl]pentanoate
Names & synonyms
SCHEMBL7361243
Database identifiers
- PubChem CID
- 10691552
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 626
Related reactions
1 records
Compound notes
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