(E)-N-[2-chloro-5-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide
Formula:C20H15N2O3ClF2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-chloro-5-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[2-chloro-5-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C20H15N2O3ClF2S3 |
| Smiles | O=C(/C=C/c1cccs1)Nc(cc(cc1)S(Nc(cc2)ccc2SC(F)F)(=O)=O)c1Cl |
| InChI | InChI=1S/C20H15ClF2N2O3S3/c21-17-9-8-16(12-18(17)24-19(26)10-7-14-2-1-11-29-14)31(27,28)25-13-3-5-15(6-4-13)30-20(22)23/h1-12,20,25H,(H,24,26) |
| InChIK | FGPJQUDGRDCYRV-UHFFFAOYSA-N |
| TotalMolweight | 500.997 |
| Molweight | 500.997 |
| MonoisotopicMass | 499.990136 |
| CLogP | 5.8029 |
| CLogS | -7.046 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 342.58 |
| Relative PSA | 0.29888 |
| PolarSurfaceArea | 137.19 |
| Druglikeness | 0.65082 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[2-chloro-5-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[2-chloro-5-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide
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