[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Formula:C24H28N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is a drug-like molecule.
| MolName | [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate |
| MolecularFormula | C24H28N2O5S |
| Smiles | O=C(COC(CNS(/C=C/c1ccccc1)(=O)=O)=O)N1CCC(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C24H28N2O5S/c27-23(26-14-11-22(12-15-26)17-21-9-5-2-6-10-21)19-31-24(28)18-25-32(29,30)16-13-20-7-3-1-4-8-20/h1-10,13,16,22,25H,11-12,14-15,17-19H2 |
| InChIK | UIKXKQXDWDFLJL-UHFFFAOYSA-N |
| TotalMolweight | 456.561 |
| Molweight | 456.561 |
| MonoisotopicMass | 456.171893 |
| CLogP | 3.0632 |
| CLogS | -4.158 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 350.68 |
| Relative PSA | 0.22719 |
| PolarSurfaceArea | 101.16 |
| Druglikeness | 4.005 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate | 2 - [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off