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

CovInDB Inhibitor

CI001162

Name

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

Molecular Formula

C₂₀H₂₀F₃N₃O₃S

Molecular Weight

439.5 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C20H20F3N3O3S/c1-2-19(27)24-15-7-9-16(10-8-15)30(28,29)26-13-11-25(12-14-26)18-6-4-3-5-17(18)20(21,22)23/h2-10H,1,11-14H2,(H,24,27)

InChI Key

WUWQRNVFOKPCAQ-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

439.5 g/mol

Computed by RDKit

logP

2.96

Computed by ALOGPS

logS

-4.59

Computed by ALOGPS

Heavy Atom Count

30

Computed by RDKit

Ring Count

3

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

69.72 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.