(E)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Formula:C18H19N3O4S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C18H19N3O4S3 |
| Smiles | O=C(/C=C/c1cccs1)NC(Nc(cc1)ccc1S(N1CCOCC1)(=O)=O)=S |
| InChI | InChI=1S/C18H19N3O4S3/c22-17(8-5-15-2-1-13-27-15)20-18(26)19-14-3-6-16(7-4-14)28(23,24)21-9-11-25-12-10-21/h1-8,13H,9-12H2,(H2,19,20,22,26) |
| InChIK | ABSWLSSFYYBKMV-UHFFFAOYSA-N |
| TotalMolweight | 437.564 |
| Molweight | 437.564 |
| MonoisotopicMass | 437.053767 |
| CLogP | 2.2281 |
| CLogS | -3.259 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 319.26 |
| Relative PSA | 0.39607 |
| PolarSurfaceArea | 156.45 |
| Druglikeness | 3.5192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
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