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

CovInDB Inhibitor

CI001101

Name

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

Molecular Formula

C₂₃H₂₉N₃O₃S

Molecular Weight

427.6 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C23H29N3O3S/c1-2-23(27)24-21-11-13-22(14-12-21)30(28,29)26-18-16-25(17-19-26)15-7-6-10-20-8-4-3-5-9-20/h2-5,8-9,11-14H,1,6-7,10,15-19H2,(H,24,27)

InChI Key

WOFVKXAEDONAOH-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCCCc3ccccc3)CC2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

427.6 g/mol

Computed by RDKit

logP

3.08

Computed by ALOGPS

logS

-5.05

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

9

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.