4-[(4-Isopropoxyphenyl)amino]-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

HCID 11711069
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Basic information

Standard SMILES
CC(C)Oc1ccc(NC2=C(c3ccccc3)S(=O)(=O)N(C(C)C)C2=O)cc1
InChIKey
GEAUSHNGKBXLRU-UHFFFAOYSA-N
Molecular formula
C21H24N2O4S
Average molar mass
400.5 g/mol

Names & identifiers

Preferred name
4-[(4-Isopropoxyphenyl)amino]-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
IUPAC
1,1-dioxo-5-phenyl-2-propan-2-yl-4-(4-propan-2-yloxyanilino)-1,2-thiazol-3-one

Names & synonyms

SCHEMBL3487779GEAUSHNGKBXLRU-UHFFFAOYSA-N4-[(4-Isopropoxyphenyl)amino]-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Database identifiers

PubChem CID
11711069

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
84.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
28

Related reactions

2 records
New reaction record

Linked notes

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