N-(4-Piperazin-1-ylsulfonylphenyl)prop-2-enamide

CovInDB Inhibitor

CI001154

Name

N-(4-Piperazin-1-ylsulfonylphenyl)prop-2-enamide

Molecular Formula

C₁₃H₁₇N₃O₃S

Molecular Weight

295.36 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-(4-piperazin-1-ylsulfonylphenyl)prop-2-enamide

InChI

InChI=1S/C13H17N3O3S/c1-2-13(17)15-11-3-5-12(6-4-11)20(18,19)16-9-7-14-8-10-16/h2-6,14H,1,7-10H2,(H,15,17)

InChI Key

KXVZGLRVLDSZFX-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc(S(=O)(=O)N2CCNCC2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

295.36 g/mol

Computed by RDKit

logP

-0.07

Computed by ALOGPS

logS

-2.22

Computed by ALOGPS

Heavy Atom Count

20

Computed by RDKit

Ring Count

2

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

4

Computed by RDKit

Topological Polar Surface Area

78.51 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.