2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide
Formula:C22H20N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide |
| MolecularFormula | C22H20N4O5S |
| Smiles | O=C(CN(c1ncccc1)S(c1ccccc1)(=O)=O)N/N=C\c1c2OCCOc2ccc1 |
| InChI | InChI=1S/C22H20N4O5S/c27-21(25-24-15-17-7-6-10-19-22(17)31-14-13-30-19)16-26(20-11-4-5-12-23-20)32(28,29)18-8-2-1-3-9-18/h1-12,15H,13-14,16H2,(H,25,27) |
| InChIK | PDIPGICHTHCXDC-UHFFFAOYSA-N |
| TotalMolweight | 452.49 |
| Molweight | 452.49 |
| MonoisotopicMass | 452.115441 |
| CLogP | 2.3801 |
| CLogS | -4.838 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 332.17 |
| Relative PSA | 0.29837 |
| PolarSurfaceArea | 118.57 |
| Druglikeness | -7.0004 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide | 2 - 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide
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