C122H120F3N17O20S9 — CID 159071117
N,N-bis[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]thiophene-2-sulfonamide;2-(2-cyclohexylsulfonylethyl)-4-methoxy-6-pyridin-2-ylpyridine;1-[4-[2-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)ethylsulfonyl]phenyl]ethanone;N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-methylthiophene-2-sulfonamide;N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide;4-methoxy-2-pyridin-2-yl-6-(2-thiophen-2-ylsulfonylethyl)pyridine (PubChem CID 159071117) has the molecular formula C122H120F3N17O20S9 and a molecular weight of 2490.00 g/mol. Its IUPAC name is N,N-bis[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]thiophene-2-sulfonamide;2-(2-cyclohexylsulfonylethyl)-4-methoxy-6-pyridin-2-ylpyridine;1-[4-[2-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)ethylsulfonyl]phenyl]ethanone;N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-methylthiophene-2-sulfonamide;N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide;4-methoxy-2-pyridin-2-yl-6-(2-thiophen-2-ylsulfonylethyl)pyridine.
| Compound Name | N,N-bis[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]thiophene-2-sulfonamide;2-(2-cyclohexylsulfonylethyl)-4-methoxy-6-pyridin-2-ylpyridine;1-[4-[2-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)ethylsulfonyl]phenyl]ethanone;N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-methylthiophene-2-sulfonamide;N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide;4-methoxy-2-pyridin-2-yl-6-(2-thiophen-2-ylsulfonylethyl)pyridine |
|---|---|
| PubChem CID | 159071117 |
| Molecular Formula | C122H120F3N17O20S9 |
| Molecular Weight | 2490.00 g/mol |
| Exact Mass | 2487.63 |
| IUPAC Name | N,N-bis[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]thiophene-2-sulfonamide;2-(2-cyclohexylsulfonylethyl)-4-methoxy-6-pyridin-2-ylpyridine;1-[4-[2-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)ethylsulfonyl]phenyl]ethanone;N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-methylthiophene-2-sulfonamide;N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide;4-methoxy-2-pyridin-2-yl-6-(2-thiophen-2-ylsulfonylethyl)pyridine |
| SMILES | COc1cc(CCS(=O)(=O)C2CCCCC2)nc(-c2ccccn2)c1.COc1cc(CCS(=O)(=O)c2ccc(C(C)=O)cc2)nc(-c2ccccn2)c1.COc1cc(CCS(=O)(=O)c2cccs2)nc(-c2ccccn2)c1.COc1cc(CN(Cc2cc(OC)cc(-c3ccccn3)n2)S(=O)(=O)c2cccs2)nc(-c2ccccn2)c1.COc1cc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)nc(-c2ccccn2)c1.COc1cc(CNS(=O)(=O)c2ccc(C)s2)nc(-c2ccccn2)c1 |
| InChI | InChI=1S/C28H25N5O4S2.C21H20N2O4S.C20H18F3N3O3S.C19H24N2O3S.C17H17N3O3S2.C17H16N2O3S2/c1-36-22-14-20(31-26(16-22)24-8-3-5-11-29-24)18-33(39(34,35)28-10-7-13-38-28)19-21-15-23(37-2)17-27(32-21)25-9-4-6-12-30-25;1-15(24)16-6-8-19(9-7-16)28(25,26)12-10-17-13-18(27-2)14-21(23-17)20-5-3-4-11-22-20;1-29-17-10-16(26-19(11-17)18-4-2-3-9-24-18)12-25-30(27,28)13-14-5-7-15(8-6-14)20(21,22)23;1-24-16-13-15(21-19(14-16)18-9-5-6-11-20-18)10-12-25(22,23)17-7-3-2-4-8-17;1-12-6-7-17(24-12)25(21,22)19-11-13-9-14(23-2)10-16(20-13)15-5-3-4-8-18-15;1-22-14-11-13(7-10-24(20,21)17-6-4-9-23-17)19-16(12-14)15-5-2-3-8-18-15/h3-17H,18-19H2,1-2H3;3-9,11,13-14H,10,12H2,1-2H3;2-11,25H,12-13H2,1H3;5-6,9,11,13-14,17H,2-4,7-8,10,12H2,1H3;3-10,19H,11H2,1-2H3;2-6,8-9,11-12H,7,10H2,1H3 |
| InChIKey | JZQUAUJMOBXZGR-UHFFFAOYSA-N |
| XLogP | 21.91 |
| TPSA | 494.28 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2490.00 |
| LogP ≤ 5 | 21.91 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 37 |