N-[[5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]methyl]benzenesulfonamide
Formula:C18H20N2O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[[5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]methyl]benzenesulfonamide is a drug-like molecule.
| MolName | N-[[5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]methyl]benzenesulfonamide |
| MolecularFormula | C18H20N2O5S |
| Smiles | O=C(/C=C/c1ccc(CNS(c2ccccc2)(=O)=O)o1)N1CCOCC1 |
| InChI | InChI=1S/C18H20N2O5S/c21-18(20-10-12-24-13-11-20)9-8-15-6-7-16(25-15)14-19-26(22,23)17-4-2-1-3-5-17/h1-9,19H,10-14H2 |
| InChIK | JKBGMFAHDAGVTE-UHFFFAOYSA-N |
| TotalMolweight | 376.432 |
| Molweight | 376.432 |
| MonoisotopicMass | 376.109293 |
| CLogP | 1.4493 |
| CLogS | -2.278 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 282.6 |
| Relative PSA | 0.2857 |
| PolarSurfaceArea | 97.23 |
| Druglikeness | -3.4874 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - N-[[5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]methyl]benzenesulfonamide | 2 - N-[[5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]furan-2-yl]methyl]benzenesulfonamide
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