N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide
Formula:C28H31N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide |
| MolecularFormula | C28H31N2O3F |
| Smiles | Cc1c(CCN([C@H](C(NC2CCCCC2)=O)c(cc2)ccc2F)C(c2ccco2)=O)cccc1 |
| InChI | InChI=1S/C28H31FN2O3/c1-20-8-5-6-9-21(20)17-18-31(28(33)25-12-7-19-34-25)26(22-13-15-23(29)16-14-22)27(32)30-24-10-3-2-4-11-24/h5-9,12-16,19,24,26H,2-4,10-11,17-18H2,1H3,(H,30,32)/t26-/m0/s1 |
| InChIK | BZLKDUOAUNBVLT-SANMLTNESA-N |
| TotalMolweight | 462.563 |
| Molweight | 462.563 |
| MonoisotopicMass | 462.231871 |
| CLogP | 4.7844 |
| CLogS | -5.469 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 366.16 |
| Relative PSA | 0.15075 |
| PolarSurfaceArea | 62.55 |
| Druglikeness | -0.038325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | this enantiomer |
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1 - N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide | 2 - N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide
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