N-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]thiophene-2-carboxamide
Formula:C19H14N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[4-[(E)-3-pyridin-3-ylprop-2-enoyl]phenyl]thiophene-2-carboxamide |
| MolecularFormula | C19H14N2O2S |
| Smiles | O=C(/C=C/c1cnccc1)c(cc1)ccc1NC(c1cccs1)=O |
| InChI | InChI=1S/C19H14N2O2S/c22-17(10-5-14-3-1-11-20-13-14)15-6-8-16(9-7-15)21-19(23)18-4-2-12-24-18/h1-13H,(H,21,23) |
| InChIK | QFTSAHLCZPFYGE-UHFFFAOYSA-N |
| TotalMolweight | 334.398 |
| Molweight | 334.398 |
| MonoisotopicMass | 334.077598 |
| CLogP | 3.317 |
| CLogS | -4.567 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 260.94 |
| Relative PSA | 0.26393 |
| PolarSurfaceArea | 87.3 |
| Druglikeness | 4.1721 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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