(E)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-2-phenylethenesulfonamide
Formula:C18H21NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-2-phenylethenesulfonamide is a drug-like molecule.
| MolName | (E)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-2-phenylethenesulfonamide |
| MolecularFormula | C18H21NO4S |
| Smiles | O=S(/C=C/c1ccccc1)(N(CC1OCCC1)Cc1ccco1)=O |
| InChI | InChI=1S/C18H21NO4S/c20-24(21,13-10-16-6-2-1-3-7-16)19(14-17-8-4-11-22-17)15-18-9-5-12-23-18/h1-4,6-8,10-11,13,18H,5,9,12,14-15H2/t18-/m1/s1 |
| InChIK | ONGMBQJKHNRAIG-GOSISDBHSA-N |
| TotalMolweight | 347.434 |
| Molweight | 347.434 |
| MonoisotopicMass | 347.119129 |
| CLogP | 2.3107 |
| CLogS | -3.875 |
| H Acceptors | 5 |
| TotalSurfaceArea | 265.89 |
| Relative PSA | 0.21152 |
| PolarSurfaceArea | 68.13 |
| Druglikeness | 0.047897 |
| 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 | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-2-phenylethenesulfonamide | 2 - (E)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-2-phenylethenesulfonamide
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