| MolName | (E)-N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide |
| MolecularFormula | C14H14N2O2S2 |
| Smiles | O=C(/C=C/C(NCc1cccs1)=O)NCc1cccs1 |
| InChI | InChI=1S/C14H14N2O2S2/c17-13(15-9-11-3-1-7-19-11)5-6-14(18)16-10-12-4-2-8-20-12/h1-8H,9-10H2,(H,15,17)(H,16,18) |
| InChIK | MMLGFXAGMNKILW-UHFFFAOYSA-N |
| TotalMolweight | 306.409 |
| Molweight | 306.409 |
| MonoisotopicMass | 306.049668 |
| CLogP | 1.558 |
| CLogS | -2.896 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 237.34 |
| Relative PSA | 0.37802 |
| PolarSurfaceArea | 114.68 |
| Druglikeness | 2.1816 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide | 2 - (E)-N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide