C123H124F5N11O11S — CID 167697694
N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide (PubChem CID 167697694) has the molecular formula C123H124F5N11O11S and a molecular weight of 2059.47 g/mol. Its IUPAC name is N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide.
| Compound Name | N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide |
|---|---|
| PubChem CID | 167697694 |
| Molecular Formula | C123H124F5N11O11S |
| Molecular Weight | 2059.47 g/mol |
| Exact Mass | 2057.91 |
| IUPAC Name | N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide |
| SMILES | CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2)cc1F.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1F.[H]N=S(=O)(CCc1cccnc1C)c1ccc(-c2ccc(N(C)C(=O)CC)cc2)cc1 |
| InChI | InChI=1S/C25H25FN2O3.2C25H25FN2O2.C24H22F2N2O2.C24H27N3O2S/c1-4-28(2)25(30)21-12-11-20(15-22(21)26)18-7-9-19(10-8-18)23(29)13-5-17-6-14-24(31-3)27-16-17;2*1-4-28(3)25(30)22-13-12-21(15-23(22)26)19-8-10-20(11-9-19)24(29)14-7-18-6-5-17(2)27-16-18;1-3-28(2)24(30)20-11-10-19(14-21(20)25)17-6-8-18(9-7-17)22(29)12-4-16-5-13-23(26)27-15-16;1-4-24(28)27(3)22-11-7-20(8-12-22)21-9-13-23(14-10-21)30(25,29)17-15-19-6-5-16-26-18(19)2/h6-12,14-16H,4-5,13H2,1-3H3;2*5-6,8-13,15-16H,4,7,14H2,1-3H3;5-11,13-15H,3-4,12H2,1-2H3;5-14,16,25H,4,15,17H2,1-3H3 |
| InChIKey | XXGRGEWRTFZLOK-UHFFFAOYSA-N |
| XLogP | 25.02 |
| TPSA | 284.43 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 151 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2059.47 |
| LogP ≤ 5 | 25.02 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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