(E)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylsulfanylethyl)prop-2-enamide
Formula:C16H15N2OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylsulfanylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylsulfanylethyl)prop-2-enamide |
| MolecularFormula | C16H15N2OClS |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)NCCSc1ncccc1 |
| InChI | InChI=1S/C16H15ClN2OS/c17-14-6-2-1-5-13(14)8-9-15(20)18-11-12-21-16-7-3-4-10-19-16/h1-10H,11-12H2,(H,18,20) |
| InChIK | XPTWIGSCUUWIGN-UHFFFAOYSA-N |
| TotalMolweight | 318.827 |
| Molweight | 318.827 |
| MonoisotopicMass | 318.05936 |
| CLogP | 3.193 |
| CLogS | -3.707 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 247.92 |
| Relative PSA | 0.21362 |
| PolarSurfaceArea | 67.29 |
| Druglikeness | 0.50065 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylsulfanylethyl)prop-2-enamide | 2 - (E)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylsulfanylethyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off