[2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C25H24N2O7S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C25H24N2O7S |
| Smiles | O=C(C(c1ccccc1)OC(/C=C/c1ccco1)=O)Nc1cccc(S(N2CCOCC2)(=O)=O)c1 |
| InChI | InChI=1S/C25H24N2O7S/c28-23(12-11-21-9-5-15-33-21)34-24(19-6-2-1-3-7-19)25(29)26-20-8-4-10-22(18-20)35(30,31)27-13-16-32-17-14-27/h1-12,15,18,24H,13-14,16-17H2,(H,26,29)/t24-/m1/s1 |
| InChIK | ZMNRKLOCYLFKSN-XMMPIXPASA-N |
| TotalMolweight | 496.539 |
| Molweight | 496.539 |
| MonoisotopicMass | 496.130423 |
| CLogP | 2.2242 |
| CLogS | -3.383 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 368.85 |
| Relative PSA | 0.28136 |
| PolarSurfaceArea | 123.53 |
| Druglikeness | -1.757 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] (E)-3-(furan-2-yl)prop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off