[2-(cyclopentylamino)-2-oxoethyl] (E)-3-[4-(3-sulfamoylanilino)phenyl]prop-2-enoate
Formula:C22H25N3O5S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
[2-(cyclopentylamino)-2-oxoethyl] (E)-3-[4-(3-sulfamoylanilino)phenyl]prop-2-enoate is a drug-like molecule.
| MolName | [2-(cyclopentylamino)-2-oxoethyl] (E)-3-[4-(3-sulfamoylanilino)phenyl]prop-2-enoate |
| MolecularFormula | C22H25N3O5S |
| Smiles | NS(c1cc(Nc2ccc(/C=C/C(OCC(NC3CCCC3)=O)=O)cc2)ccc1)(=O)=O |
| InChI | InChI=1S/C22H25N3O5S/c23-31(28,29)20-7-3-6-19(14-20)24-18-11-8-16(9-12-18)10-13-22(27)30-15-21(26)25-17-4-1-2-5-17/h3,6-14,17,24H,1-2,4-5,15H2,(H,25,26)(H2,23,28,29) |
| InChIK | KFPVLTQNGZAUNP-UHFFFAOYSA-N |
| TotalMolweight | 443.523 |
| Molweight | 443.523 |
| MonoisotopicMass | 443.151492 |
| CLogP | 2.4936 |
| CLogS | -4.675 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 332.84 |
| Relative PSA | 0.30901 |
| PolarSurfaceArea | 135.97 |
| Druglikeness | -6.1734 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - [2-(cyclopentylamino)-2-oxoethyl] (E)-3-[4-(3-sulfamoylanilino)phenyl]prop-2-enoate | 2 - [2-(cyclopentylamino)-2-oxoethyl] (E)-3-[4-(3-sulfamoylanilino)phenyl]prop-2-enoate
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