N-[4-[4-(4,4-Difluoropiperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

CovInDB Inhibitor

CI001104

Name

N-[4-[4-(4,4-Difluoropiperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

Molecular Formula

C₁₉H₂₄F₂N₄O₄S

Molecular Weight

442.5 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-[4-[4-(4,4-difluoropiperidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide

InChI

InChI=1S/C19H24F2N4O4S/c1-2-17(26)22-15-3-5-16(6-4-15)30(28,29)25-13-11-24(12-14-25)18(27)23-9-7-19(20,21)8-10-23/h2-6H,1,7-14H2,(H,22,26)

InChI Key

XMNBZHULQOIYJP-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCC(F)(F)CC3)CC2)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

442.5 g/mol

Computed by RDKit

logP

1.11

Computed by ALOGPS

logS

-2.97

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

4

Computed by RDKit

Topological Polar Surface Area

90.03 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.