N-[4-(4-Phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
Inhibitor information
- CovInDB Inhibitor
- CI001161
- Name
- N-[4-(4-Phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
- Molecular Formula
- C19H21N3O3S
- Molecular Weight
- 371.5 g/mol
- Structure
-
- IUPAC Name
- N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide
- InChI
- InChI=1S/C19H21N3O3S/c1-2-19(23)20-16-8-10-18(11-9-16)26(24,25)22-14-12-21(13-15-22)17-6-4-3-5-7-17/h2-11H,1,12-15H2,(H,20,23)
- InChI Key
- VIBBHXNFIOPNNL-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
371.5 g/mol
Computed by RDKit
- logP
-
2.02
Computed by ALOGPS
- logS
-
-3.47
Computed by ALOGPS
- Heavy Atom Count
-
26
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 Å2
Computed by RDKit
3D Structure
Show Warhead
targets
| Name | ID | Warhead | Reaction Mechanism | Target Site | Activity Type | Relation | Value | Unit | Experiment Method | Assay | Reference |
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.