N-benzyl-2-[oxolan-2-ylmethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
Formula:C27H30N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-2-[oxolan-2-ylmethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is not a drug-like molecule.
| MolName | N-benzyl-2-[oxolan-2-ylmethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide |
| MolecularFormula | C27H30N2O4S2 |
| Smiles | O=C(CN(CC1OCCC1)S(/C=C/c1ccccc1)(=O)=O)N(Cc1cccs1)Cc1ccccc1 |
| InChI | InChI=1S/C27H30N2O4S2/c30-27(28(21-26-14-8-17-34-26)19-24-11-5-2-6-12-24)22-29(20-25-13-7-16-33-25)35(31,32)18-15-23-9-3-1-4-10-23/h1-6,8-12,14-15,17-18,25H,7,13,16,19-22H2/t25-/m1/s1 |
| InChIK | WJYOQMWSXJEHQU-RUZDIDTESA-N |
| TotalMolweight | 510.677 |
| Molweight | 510.677 |
| MonoisotopicMass | 510.164698 |
| CLogP | 3.7569 |
| CLogS | -4.931 |
| H Acceptors | 6 |
| TotalSurfaceArea | 387.47 |
| Relative PSA | 0.20409 |
| PolarSurfaceArea | 103.54 |
| Druglikeness | 4.1352 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 10 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon | racemate |
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1 - N-benzyl-2-[oxolan-2-ylmethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide | 2 - N-benzyl-2-[oxolan-2-ylmethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
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