(E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-thiophen-2-ylprop-2-enamide
Formula:C16H14N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C16H14N2OS2 |
| Smiles | N#Cc1c(NC(/C=C/c2cccs2)=O)sc2c1CCCC2 |
| InChI | InChI=1S/C16H14N2OS2/c17-10-13-12-5-1-2-6-14(12)21-16(13)18-15(19)8-7-11-4-3-9-20-11/h3-4,7-9H,1-2,5-6H2,(H,18,19) |
| InChIK | UOCHSRGSHWGUIX-UHFFFAOYSA-N |
| TotalMolweight | 314.432 |
| Molweight | 314.432 |
| MonoisotopicMass | 314.054753 |
| CLogP | 4.0515 |
| CLogS | -5.533 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 243.86 |
| Relative PSA | 0.32305 |
| PolarSurfaceArea | 109.37 |
| Druglikeness | -7.0042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-thiophen-2-ylprop-2-enamide
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