(2-oxo-2-piperidin-1-ylethyl) (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate
Formula:C22H25N3O7S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-oxo-2-piperidin-1-ylethyl) (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate is not a drug-like molecule.
| MolName | (2-oxo-2-piperidin-1-ylethyl) (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate |
| MolecularFormula | C22H25N3O7S2 |
| Smiles | NS(c1cccc(NS(c2ccc(/C=C/C(OCC(N3CCCCC3)=O)=O)cc2)(=O)=O)c1)(=O)=O |
| InChI | InChI=1S/C22H25N3O7S2/c23-33(28,29)20-6-4-5-18(15-20)24-34(30,31)19-10-7-17(8-11-19)9-12-22(27)32-16-21(26)25-13-2-1-3-14-25/h4-12,15,24H,1-3,13-14,16H2,(H2,23,28,29) |
| InChIK | KUEKOVAWZVMVCW-UHFFFAOYSA-N |
| TotalMolweight | 507.586 |
| Molweight | 507.586 |
| MonoisotopicMass | 507.113392 |
| CLogP | 1.4481 |
| CLogS | -3.72 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 361.52 |
| Relative PSA | 0.34167 |
| PolarSurfaceArea | 169.7 |
| Druglikeness | -2.043 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 3 |
| StereoCon |
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1 - (2-oxo-2-piperidin-1-ylethyl) (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate | 2 - (2-oxo-2-piperidin-1-ylethyl) (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate
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