(E)-3-(furan-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide
Formula:C19H21N3O4S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-3-(furan-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide |
| MolecularFormula | C19H21N3O4S2 |
| Smiles | O=C(/C=C/c1ccco1)NC(Nc(cc1)ccc1S(N1CCCCC1)(=O)=O)=S |
| InChI | InChI=1S/C19H21N3O4S2/c23-18(11-8-16-5-4-14-26-16)21-19(27)20-15-6-9-17(10-7-15)28(24,25)22-12-2-1-3-13-22/h4-11,14H,1-3,12-13H2,(H2,20,21,23,27) |
| InChIK | WKIUFLVNYRMXIW-UHFFFAOYSA-N |
| TotalMolweight | 419.525 |
| Molweight | 419.525 |
| MonoisotopicMass | 419.097347 |
| CLogP | 2.7142 |
| CLogS | -3.82 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 316.77 |
| Relative PSA | 0.34789 |
| PolarSurfaceArea | 132.12 |
| Druglikeness | 1.0993 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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