N-[(E)-3-[4-(diaminomethylideneamino)sulfonylanilino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide
Formula:C20H18N6O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-[4-(diaminomethylideneamino)sulfonylanilino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-3-[4-(diaminomethylideneamino)sulfonylanilino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide |
| MolecularFormula | C20H18N6O4S2 |
| Smiles | NC(N)=NS(c(cc1)ccc1NC(/C(/NC(c1cccs1)=O)=C\c1cnccc1)=O)(=O)=O |
| InChI | InChI=1S/C20H18N6O4S2/c21-20(22)26-32(29,30)15-7-5-14(6-8-15)24-18(27)16(11-13-3-1-9-23-12-13)25-19(28)17-4-2-10-31-17/h1-12H,(H,24,27)(H,25,28)(H4,21,22,26) |
| InChIK | WQAVZKYTCJHKCD-UHFFFAOYSA-N |
| TotalMolweight | 470.533 |
| Molweight | 470.533 |
| MonoisotopicMass | 470.083094 |
| CLogP | 1.5131 |
| CLogS | -4.362 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 339.2 |
| Relative PSA | 0.44505 |
| PolarSurfaceArea | 206.25 |
| Druglikeness | 7.5037 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-3-[4-(diaminomethylideneamino)sulfonylanilino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide | 2 - N-[(E)-3-[4-(diaminomethylideneamino)sulfonylanilino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide
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