(E)-3-phenylsulfanyl-N-(2-piperidin-1-ylphenyl)prop-2-enamide
Formula:C20H22N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenylsulfanyl-N-(2-piperidin-1-ylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenylsulfanyl-N-(2-piperidin-1-ylphenyl)prop-2-enamide |
| MolecularFormula | C20H22N2OS |
| Smiles | O=C(/C=C/Sc1ccccc1)Nc(cccc1)c1N1CCCCC1 |
| InChI | InChI=1S/C20H22N2OS/c23-20(13-16-24-17-9-3-1-4-10-17)21-18-11-5-6-12-19(18)22-14-7-2-8-15-22/h1,3-6,9-13,16H,2,7-8,14-15H2,(H,21,23) |
| InChIK | WPVIGWAYIXEWFJ-UHFFFAOYSA-N |
| TotalMolweight | 338.474 |
| Molweight | 338.474 |
| MonoisotopicMass | 338.145283 |
| CLogP | 4.0158 |
| CLogS | -4.878 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 271.82 |
| Relative PSA | 0.16754 |
| PolarSurfaceArea | 57.64 |
| Druglikeness | 0.32639 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-phenylsulfanyl-N-(2-piperidin-1-ylphenyl)prop-2-enamide | 2 - (E)-3-phenylsulfanyl-N-(2-piperidin-1-ylphenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off