N-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]adamantane-1-carboxamide
Formula:C25H33N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]adamantane-1-carboxamide |
| MolecularFormula | C25H33N3O4S |
| Smiles | O=C(CNC(C1(CC(C2)C3)CC3CC2C1)=O)N(CC1)CCN1S(/C=C/c1ccccc1)(=O)=O |
| InChI | InChI=1S/C25H33N3O4S/c29-23(18-26-24(30)25-15-20-12-21(16-25)14-22(13-20)17-25)27-7-9-28(10-8-27)33(31,32)11-6-19-4-2-1-3-5-19/h1-6,11,20-22H,7-10,12-18H2,(H,26,30) |
| InChIK | LTYDUGMEVNJKON-UHFFFAOYSA-N |
| TotalMolweight | 471.62 |
| Molweight | 471.62 |
| MonoisotopicMass | 471.219177 |
| CLogP | 2.3752 |
| CLogS | -3.958 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 341.17 |
| Relative PSA | 0.21461 |
| PolarSurfaceArea | 95.17 |
| Druglikeness | 6.7984 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 16 |
| Symmetricatoms | 11 |
| Amides | 3 |
| StereoCon |
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1 - N-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]adamantane-1-carboxamide | 2 - N-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]adamantane-1-carboxamide
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