N-[4-(vinylsulfonylamino)phenyl]naphthalene-2-carboxamide
Inhibitor information
- CovInDB Inhibitor
- CI005895
- Name
- N-[4-(vinylsulfonylamino)phenyl]naphthalene-2-carboxamide
- Molecular Formula
- C19H16N2O3S
- Molecular Weight
- 352.0881634 g/mol
- Structure
-
- IUPAC Name
- N-[4-(vinylsulfonylamino)phenyl]naphthalene-2-carboxamide
- InChI
- InChI=1S/C19H16N2O3S/c1-2-25(23,24)21-18-11-9-17(10-12-18)20-19(22)16-8-7-14-5-3-4-6-15(14)13-16/h2-13,21H,1H2,(H,20,22)
- InChI Key
- XDGZXGLFAGJZJG-UHFFFAOYSA-N
- Canonical SMILES
- C=CS(=O)(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
352.0881634 g/mol
Computed by RDKit
- logP
-
3.741
Computed by ALOGPS
- logS
-
-4.981
Computed by ALOGPS
- Heavy Atom Count
-
25
Computed by RDKit
- Ring Count
-
3
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
3
Computed by RDKit
- Hydrogen Bond Donor Count
-
2
Computed by RDKit
- Rotatable Bond Count
-
5
Computed by RDKit
- Topological Polar Surface Area
-
75.27 Å2
Computed by RDKit
3D Structure
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.