N-[(Z)-furan-2-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
Formula:C18H21N3O5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide |
| MolecularFormula | C18H21N3O5S |
| Smiles | O=C(CCc(cc1)ccc1S(N1CCOCC1)(=O)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C18H21N3O5S/c22-18(20-19-14-16-2-1-11-26-16)8-5-15-3-6-17(7-4-15)27(23,24)21-9-12-25-13-10-21/h1-4,6-7,11,14H,5,8-10,12-13H2,(H,20,22) |
| InChIK | DEBMJMKVESJVOV-UHFFFAOYSA-N |
| TotalMolweight | 391.447 |
| Molweight | 391.447 |
| MonoisotopicMass | 391.120192 |
| CLogP | 1.8856 |
| CLogS | -2.844 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 294.62 |
| Relative PSA | 0.31312 |
| PolarSurfaceArea | 109.59 |
| Druglikeness | 4.7792 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-furan-2-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide | 2 - N-[(Z)-furan-2-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off