N-[(Z)-pyridin-4-ylmethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
Formula:C17H14N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-4-ylmethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-4-ylmethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C17H14N4O3S2 |
| Smiles | O=C(c(cc1)ccc1NS(c1cccs1)(=O)=O)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C17H14N4O3S2/c22-17(20-19-12-13-7-9-18-10-8-13)14-3-5-15(6-4-14)21-26(23,24)16-2-1-11-25-16/h1-12,21H,(H,20,22) |
| InChIK | YNCYYSHFLXMWCX-UHFFFAOYSA-N |
| TotalMolweight | 386.455 |
| Molweight | 386.455 |
| MonoisotopicMass | 386.050731 |
| CLogP | 2.4889 |
| CLogS | -4.176 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 281.49 |
| Relative PSA | 0.38147 |
| PolarSurfaceArea | 137.14 |
| Druglikeness | 6.2035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-pyridin-4-ylmethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide | 2 - N-[(Z)-pyridin-4-ylmethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off