N-[4-(4-Pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

CovInDB Inhibitor

CI001156

Name

N-[4-(4-Pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

Molecular Formula

C₁₈H₂₀N₄O₃S

Molecular Weight

372.4 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

N-[4-[4-(2-pyridyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

InChI

InChI=1S/C18H20N4O3S/c1-2-18(23)20-15-6-8-16(9-7-15)26(24,25)22-13-11-21(12-14-22)17-5-3-4-10-19-17/h2-10H,1,11-14H2,(H,20,23)

InChI Key

YDQPDMPSNNWJLX-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

372.4 g/mol

Computed by RDKit

logP

1.23

Computed by ALOGPS

logS

-3.26

Computed by ALOGPS

Heavy Atom Count

26

Computed by RDKit

Ring Count

3

Computed by RDKit

Hydrogen Bond Acceptor Count

5

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

82.61 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.