(E)-N-[[4-[(2,5-difluorophenyl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Formula:C20H15N3O3F2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[[4-[(2,5-difluorophenyl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[[4-[(2,5-difluorophenyl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C20H15N3O3F2S3 |
| Smiles | O=C(/C=C/c1cccs1)NC(Nc(cc1)ccc1S(Nc(cc(cc1)F)c1F)(=O)=O)=S |
| InChI | InChI=1S/C20H15F2N3O3S3/c21-13-3-9-17(22)18(12-13)25-31(27,28)16-7-4-14(5-8-16)23-20(29)24-19(26)10-6-15-2-1-11-30-15/h1-12,25H,(H2,23,24,26,29) |
| InChIK | UYTLRCBSFPGWPF-UHFFFAOYSA-N |
| TotalMolweight | 479.551 |
| Molweight | 479.551 |
| MonoisotopicMass | 479.024358 |
| CLogP | 3.686 |
| CLogS | -6.014 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 341.34 |
| Relative PSA | 0.36433 |
| PolarSurfaceArea | 156.01 |
| Druglikeness | 1.5373 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[[4-[(2,5-difluorophenyl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[[4-[(2,5-difluorophenyl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
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