N-[4-[4-(6-Methylpyridin-2-yl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

CovInDB Inhibitor

CI001158

Name

N-[4-[4-(6-Methylpyridin-2-yl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

Molecular Formula

C₁₉H₂₂N₄O₃S

Molecular Weight

386.5 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-[4-[4-(6-methyl-2-pyridyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

InChI

InChI=1S/C19H22N4O3S/c1-3-19(24)21-16-7-9-17(10-8-16)27(25,26)23-13-11-22(12-14-23)18-6-4-5-15(2)20-18/h3-10H,1,11-14H2,2H3,(H,21,24)

InChI Key

KFEJNIOLFTZKGK-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)n3)CC2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

386.5 g/mol

Computed by RDKit

logP

1.6

Computed by ALOGPS

logS

-3.47

Computed by ALOGPS

Heavy Atom Count

27

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.