(E)-N-(1,1-dioxothiolan-3-yl)-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-enamide
Formula:C18H19NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1,1-dioxothiolan-3-yl)-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1,1-dioxothiolan-3-yl)-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C18H19NO3S2 |
| Smiles | O=C(/C=C/c1ccccc1)N(Cc1cccs1)C(CC1)CS1(=O)=O |
| InChI | InChI=1S/C18H19NO3S2/c20-18(9-8-15-5-2-1-3-6-15)19(13-17-7-4-11-23-17)16-10-12-24(21,22)14-16/h1-9,11,16H,10,12-14H2/t16-/m1/s1 |
| InChIK | HRXDKXOYKOORJH-MRXNPFEDSA-N |
| TotalMolweight | 361.485 |
| Molweight | 361.485 |
| MonoisotopicMass | 361.080634 |
| CLogP | 2.3425 |
| CLogS | -3.506 |
| H Acceptors | 4 |
| TotalSurfaceArea | 266.13 |
| Relative PSA | 0.24623 |
| PolarSurfaceArea | 91.07 |
| Druglikeness | -0.27235 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-N-(1,1-dioxothiolan-3-yl)-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-enamide | 2 - (E)-N-(1,1-dioxothiolan-3-yl)-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-enamide
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