C122H116F2N14O22S10 — CID 167555532
5-ethoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;3-fluoro-N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;4-fluoro-N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-(furan-2-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;N-[(5-methylfuran-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-[(5-methylthiophen-2-yl)methoxy]pyridine (PubChem CID 167555532) has the molecular formula C122H116F2N14O22S10 and a molecular weight of 2489.01 g/mol. Its IUPAC name is 5-ethoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;3-fluoro-N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;4-fluoro-N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-(furan-2-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;N-[(5-methylfuran-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-[(5-methylthiophen-2-yl)methoxy]pyridine.
| Compound Name | 5-ethoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;3-fluoro-N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;4-fluoro-N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-(furan-2-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;N-[(5-methylfuran-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-[(5-methylthiophen-2-yl)methoxy]pyridine |
|---|---|
| PubChem CID | 167555532 |
| Molecular Formula | C122H116F2N14O22S10 |
| Molecular Weight | 2489.01 g/mol |
| Exact Mass | 2486.56 |
| IUPAC Name | 5-ethoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;3-fluoro-N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;4-fluoro-N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-(furan-2-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;N-[(5-methylfuran-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-[(5-methylthiophen-2-yl)methoxy]pyridine |
| SMILES | CCOc1ncc(NCc2cccs2)nc1-c1ccc(S(C)(=O)=O)cc1.COc1ncc(NCc2cccs2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cc(F)cc(NCc3ccoc3)n2)cc1.CS(=O)(=O)c1ccc(-c2ccc(F)c(NCc3ccoc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cccc(OCc3ccco3)n2)cc1.Cc1cc(CNc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)co1.Cc1ccc(COc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)s1 |
| InChI | InChI=1S/C18H19N3O3S2.C18H18N2O3S.C18H17NO3S2.2C17H15FN2O3S.C17H17N3O3S2.C17H15NO4S/c1-3-24-18-17(13-6-8-15(9-7-13)26(2,22)23)21-16(12-20-18)19-11-14-5-4-10-25-14;1-13-10-14(12-23-13)11-19-18-5-3-4-17(20-18)15-6-8-16(9-7-15)24(2,21)22;1-13-6-9-15(23-13)12-22-18-5-3-4-17(19-18)14-7-10-16(11-8-14)24(2,20)21;1-24(21,22)15-4-2-13(3-5-15)16-8-14(18)9-17(20-16)19-10-12-6-7-23-11-12;1-24(21,22)14-4-2-13(3-5-14)16-7-6-15(18)17(20-16)19-10-12-8-9-23-11-12;1-23-17-16(12-5-7-14(8-6-12)25(2,21)22)20-15(11-19-17)18-10-13-4-3-9-24-13;1-23(19,20)15-9-7-13(8-10-15)16-5-2-6-17(18-16)22-12-14-4-3-11-21-14/h4-10,12H,3,11H2,1-2H3,(H,19,21);3-10,12H,11H2,1-2H3,(H,19,20);3-11H,12H2,1-2H3;2*2-9,11H,10H2,1H3,(H,19,20);3-9,11H,10H2,1-2H3,(H,18,20);2-11H,12H2,1H3 |
| InChIKey | CYQRXEJPHMDIKL-UHFFFAOYSA-N |
| XLogP | 24.93 |
| TPSA | 504.62 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 170 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2489.01 |
| LogP ≤ 5 | 24.93 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 39 |