Basic information
- Standard SMILES
CCCc1cc(CO)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2- InChIKey
GTRNJECNKUNHAZ-UHFFFAOYSA-N- Molecular formula
- C28H31NO7S
- Average molar mass
- 525.6 g/mol
Names & identifiers
- Preferred name
- N-(4-iso-propylbenzenesulfonyl)-alpha-(2-n-propyl-4-hydroxymethylphenoxy)-3,4-methylenedioxyphenylacetamide
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-2-propylphenoxy]-N-(4-propan-2-ylphenyl)sulfonylacetamide
Names & synonyms
SCHEMBL7333006GTRNJECNKUNHAZ-UHFFFAOYSA-NN-(4-iso-propylbenzenesulfonyl)-alpha-(2-n-propyl-4-hydroxymethylphenoxy)-3,4-methylenedioxyphenylacetamideN-(4-iso-propylbenzenesulfonyl)-alpha-(4-hydroxymethyl-2-n-propylphenoxy)-3,4-methylenedioxy-phenylacetamideN-(4-iso-propylbenzenesulfonyl)-alpha-(4-hydroxymethyl-2-n-propylphenoxy)-3,4-methylenedioxyphenylacetamide
Database identifiers
- PubChem CID
- 19080378
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 836
Related reactions
10 records
Compound notes
Loading…