N-(4-iso-propylbenzenesulfonyl)-alpha-(2-n-propyl-4-hydroxymethylphenoxy)-3,4-methylenedioxyphenylacetamide

HCID 19080378

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

Related reactions

10 records

Compound notes

Loading…