(E)-N-(benzenesulfonamidocarbamothioyl)-3-(4-fluorophenyl)prop-2-enamide
Formula:C16H14N3O3FS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-N-(benzenesulfonamidocarbamothioyl)-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(benzenesulfonamidocarbamothioyl)-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C16H14N3O3FS2 |
| Smiles | O=C(/C=C/c(cc1)ccc1F)NC(NNS(c1ccccc1)(=O)=O)=S |
| InChI | InChI=1S/C16H14FN3O3S2/c17-13-9-6-12(7-10-13)8-11-15(21)18-16(24)19-20-25(22,23)14-4-2-1-3-5-14/h1-11,20H,(H2,18,19,21,24) |
| InChIK | BSGNUBDCZMKINI-UHFFFAOYSA-N |
| TotalMolweight | 379.435 |
| Molweight | 379.435 |
| MonoisotopicMass | 379.04606 |
| CLogP | 1.3055 |
| CLogS | -2.734 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 279.29 |
| Relative PSA | 0.37237 |
| PolarSurfaceArea | 127.77 |
| Druglikeness | -6.6382 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(benzenesulfonamidocarbamothioyl)-3-(4-fluorophenyl)prop-2-enamide | 2 - (E)-N-(benzenesulfonamidocarbamothioyl)-3-(4-fluorophenyl)prop-2-enamide
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