2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
Formula:C26H27N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide is a drug-like molecule.
| MolName | 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide |
| MolecularFormula | C26H27N3O3S2 |
| Smiles | O=C(CN(CC1)CCN1S(/C=C/c1ccccc1)(=O)=O)Nc(cccc1)c1Sc1ccccc1 |
| InChI | InChI=1S/C26H27N3O3S2/c30-26(27-24-13-7-8-14-25(24)33-23-11-5-2-6-12-23)21-28-16-18-29(19-17-28)34(31,32)20-15-22-9-3-1-4-10-22/h1-15,20H,16-19,21H2,(H,27,30) |
| InChIK | PMJNAOYFVNNPDW-UHFFFAOYSA-N |
| TotalMolweight | 493.65 |
| Molweight | 493.65 |
| MonoisotopicMass | 493.149382 |
| CLogP | 3.9512 |
| CLogS | -4.814 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 370.46 |
| Relative PSA | 0.20966 |
| PolarSurfaceArea | 103.4 |
| Druglikeness | 4.1598 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide | 2 - 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
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