N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C21H23N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C21H23N3O3S |
| Smiles | O=C(c1cccc(S(N2CCCCC2)(=O)=O)c1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C21H23N3O3S/c25-21(23-22-14-8-11-18-9-3-1-4-10-18)19-12-7-13-20(17-19)28(26,27)24-15-5-2-6-16-24/h1,3-4,7-14,17H,2,5-6,15-16H2,(H,23,25) |
| InChIK | UFHQXGSIPHDNCC-UHFFFAOYSA-N |
| TotalMolweight | 397.498 |
| Molweight | 397.498 |
| MonoisotopicMass | 397.146012 |
| CLogP | 3.4267 |
| CLogS | -4.108 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 307.67 |
| Relative PSA | 0.22147 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -1.9082 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-piperidin-1-ylsulfonylbenzamide | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-piperidin-1-ylsulfonylbenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off