2-Isopropyl-5-phenyl-4-[(4-piperidin-1-ylphenyl)amino]isothiazol-3(2H)-one 1,1-dioxide

HCID 11640461
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Basic information

Standard SMILES
CC(C)N1C(=O)C(Nc2ccc(N3CCCCC3)cc2)=C(c2ccccc2)S1(=O)=O
InChIKey
TZKMCTATQVWWMA-UHFFFAOYSA-N
Molecular formula
C23H27N3O3S
Average molar mass
425.5 g/mol

Names & identifiers

Preferred name
2-Isopropyl-5-phenyl-4-[(4-piperidin-1-ylphenyl)amino]isothiazol-3(2H)-one 1,1-dioxide
IUPAC
1,1-dioxo-5-phenyl-4-(4-piperidin-1-ylanilino)-2-propan-2-yl-1,2-thiazol-3-one

Names & synonyms

SCHEMBL3488079TZKMCTATQVWWMA-UHFFFAOYSA-N2-Isopropyl-5-phenyl-4-[(4-piperidin-1-ylphenyl)amino]isothiazol-3(2H)-one 1,1-dioxide

Database identifiers

PubChem CID
11640461

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
78.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
30

Related reactions

2 records
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Compound notes

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