Basic information
- Standard SMILES
CCCc1cc(C#N)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2- InChIKey
ASPLOPMKPOGNEW-UHFFFAOYSA-N- Molecular formula
- C28H28N2O6S
- Average molar mass
- 520.6 g/mol
Names & identifiers
- Preferred name
- N-(4-iso-propylbenzenesulfonyl)-alpha-(4-cyano-2-n-propylphenoxy)-3,4-methylenedioxyphenyl-acetamide
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-2-(4-cyano-2-propylphenoxy)-N-(4-propan-2-ylphenyl)sulfonylacetamide
Names & synonyms
SCHEMBL7330171ASPLOPMKPOGNEW-UHFFFAOYSA-NN-(4-iso-propylbenzenesulfonyl)-alpha-(4-cyano-2-n-propylphenoxy)-3,4-methylenedioxyphenyl-acetamideN-(4-iso-propylbenzenesulfonyl)-alpha-(4-cyano-2-n-propylphenoxy)-3,4-methylenedioxyphenylacetamide
Database identifiers
- PubChem CID
- 22912486
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 917
Related reactions
2 records
Compound notes
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