(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
Formula:C22H18N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-(3-sulfamoylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-(3-sulfamoylphenyl)prop-2-enamide |
| MolecularFormula | C22H18N4O3S2 |
| Smiles | NS(c1cc(NC(/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)=O)ccc1)(=O)=O |
| InChI | InChI=1S/C22H18N4O3S2/c23-31(28,29)19-9-4-6-17(14-19)24-21(27)12-11-16-15-26(18-7-2-1-3-8-18)25-22(16)20-10-5-13-30-20/h1-15H,(H,24,27)(H2,23,28,29) |
| InChIK | JWJCMBIIFDRDAW-UHFFFAOYSA-N |
| TotalMolweight | 450.542 |
| Molweight | 450.542 |
| MonoisotopicMass | 450.082031 |
| CLogP | 2.8428 |
| CLogS | -4.831 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 329.25 |
| Relative PSA | 0.32361 |
| PolarSurfaceArea | 143.7 |
| Druglikeness | 0.28561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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