N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Formula:C20H16N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide |
| MolecularFormula | C20H16N2O5S |
| Smiles | O=C(/C(/NC(c1cccs1)=O)=C\c(cc1)cc2c1OCO2)NCc1ccco1 |
| InChI | InChI=1S/C20H16N2O5S/c23-19(21-11-14-3-1-7-25-14)15(22-20(24)18-4-2-8-28-18)9-13-5-6-16-17(10-13)27-12-26-16/h1-10H,11-12H2,(H,21,23)(H,22,24) |
| InChIK | NRSCVDDWNSOUOX-UHFFFAOYSA-N |
| TotalMolweight | 396.422 |
| Molweight | 396.422 |
| MonoisotopicMass | 396.077993 |
| CLogP | 3.2999 |
| CLogS | -5.092 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 295.56 |
| Relative PSA | 0.35008 |
| PolarSurfaceArea | 118.04 |
| Druglikeness | 4.6937 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
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