(Z)-3-(4-fluorophenyl)-N-(3-sulfamoylphenyl)-2-thiophen-2-ylprop-2-enamide
Formula:C19H15N2O3FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(4-fluorophenyl)-N-(3-sulfamoylphenyl)-2-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (Z)-3-(4-fluorophenyl)-N-(3-sulfamoylphenyl)-2-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C19H15N2O3FS2 |
| Smiles | NS(c1cc(NC(/C(/c2cccs2)=C/c(cc2)ccc2F)=O)ccc1)(=O)=O |
| InChI | InChI=1S/C19H15FN2O3S2/c20-14-8-6-13(7-9-14)11-17(18-5-2-10-26-18)19(23)22-15-3-1-4-16(12-15)27(21,24)25/h1-12H,(H,22,23)(H2,21,24,25) |
| InChIK | CCPYLCQCLKQCDD-UHFFFAOYSA-N |
| TotalMolweight | 402.469 |
| Molweight | 402.469 |
| MonoisotopicMass | 402.050811 |
| CLogP | 3.2045 |
| CLogS | -4.678 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 286.09 |
| Relative PSA | 0.31008 |
| PolarSurfaceArea | 125.88 |
| Druglikeness | -0.4632 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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