(E)-2-cyano-3-[5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C22H13N2OF5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-[5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C22H13N2OF5S2 |
| Smiles | N#C/C(/C(Nc1cc(C(F)(F)F)ccc1)=O)=C\c1ccc(-c(cc2)ccc2SC(F)F)s1 |
| InChI | InChI=1S/C22H13F5N2OS2/c23-21(24)32-17-6-4-13(5-7-17)19-9-8-18(31-19)10-14(12-28)20(30)29-16-3-1-2-15(11-16)22(25,26)27/h1-11,21H,(H,29,30) |
| InChIK | NMFIQGLFZVQGTG-UHFFFAOYSA-N |
| TotalMolweight | 480.48 |
| Molweight | 480.48 |
| MonoisotopicMass | 480.038943 |
| CLogP | 7.4964 |
| CLogS | -8.134 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 336.5 |
| Relative PSA | 0.22559 |
| PolarSurfaceArea | 106.43 |
| Druglikeness | -7.8337 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-cyano-3-[5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-2-cyano-3-[5-[4-(difluoromethylsulfanyl)phenyl]thiophen-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
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