N-[4-[4-[5-(Trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylphenyl]prop-2-enamide

CovInDB Inhibitor

CI001160

Name

N-[4-[4-[5-(Trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylphenyl]prop-2-enamide

Molecular Formula

C₁₉H₁₉F₃N₄O₃S

Molecular Weight

440.4 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

N-[4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]sulfonylphenyl]prop-2-enamide

InChI

InChI=1S/C19H19F3N4O3S/c1-2-18(27)24-15-4-6-16(7-5-15)30(28,29)26-11-9-25(10-12-26)17-8-3-14(13-23-17)19(20,21)22/h2-8,13H,1,9-12H2,(H,24,27)

InChI Key

GFUHZWGGEHHBLH-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

440.4 g/mol

Computed by RDKit

logP

2.52

Computed by ALOGPS

logS

-4.03

Computed by ALOGPS

Heavy Atom Count

30

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.