(E)-N-(benzenesulfonamidocarbamothioyl)-3-phenylprop-2-enamide
Formula:C16H15N3O3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-N-(benzenesulfonamidocarbamothioyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(benzenesulfonamidocarbamothioyl)-3-phenylprop-2-enamide |
| MolecularFormula | C16H15N3O3S2 |
| Smiles | O=C(/C=C/c1ccccc1)NC(NNS(c1ccccc1)(=O)=O)=S |
| InChI | InChI=1S/C16H15N3O3S2/c20-15(12-11-13-7-3-1-4-8-13)17-16(23)18-19-24(21,22)14-9-5-2-6-10-14/h1-12,19H,(H2,17,18,20,23) |
| InChIK | LMBJMGRJFVFATD-UHFFFAOYSA-N |
| TotalMolweight | 361.445 |
| Molweight | 361.445 |
| MonoisotopicMass | 361.055482 |
| CLogP | 1.2047 |
| CLogS | -2.42 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 272.94 |
| Relative PSA | 0.38104 |
| PolarSurfaceArea | 127.77 |
| Druglikeness | -7.0503 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-phenylprop-2-enamide | 2 - (E)-N-(benzenesulfonamidocarbamothioyl)-3-phenylprop-2-enamide
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