3-[(E)-2-phenylethenyl]sulfanyl-N-(2-piperidin-1-ylphenyl)propanamide
Formula:C22H26N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-phenylethenyl]sulfanyl-N-(2-piperidin-1-ylphenyl)propanamide is a drug-like molecule.
| MolName | 3-[(E)-2-phenylethenyl]sulfanyl-N-(2-piperidin-1-ylphenyl)propanamide |
| MolecularFormula | C22H26N2OS |
| Smiles | O=C(CCS/C=C/c1ccccc1)Nc(cccc1)c1N1CCCCC1 |
| InChI | InChI=1S/C22H26N2OS/c25-22(14-18-26-17-13-19-9-3-1-4-10-19)23-20-11-5-6-12-21(20)24-15-7-2-8-16-24/h1,3-6,9-13,17H,2,7-8,14-16,18H2,(H,23,25) |
| InChIK | VQNVXKBBYFZXRB-UHFFFAOYSA-N |
| TotalMolweight | 366.527 |
| Molweight | 366.527 |
| MonoisotopicMass | 366.176583 |
| CLogP | 4.5762 |
| CLogS | -5.271 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 299.34 |
| Relative PSA | 0.15213 |
| PolarSurfaceArea | 57.64 |
| Druglikeness | 1.9463 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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