C120H115N19O21S10 — CID 167542079
N-benzyl-3-methoxy-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-5-ylmethyl)pyrazin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyridine;2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine (PubChem CID 167542079) has the molecular formula C120H115N19O21S10 and a molecular weight of 2480.02 g/mol. Its IUPAC name is N-benzyl-3-methoxy-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-5-ylmethyl)pyrazin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyridine;2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine.
| Compound Name | N-benzyl-3-methoxy-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-5-ylmethyl)pyrazin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyridine;2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine |
|---|---|
| PubChem CID | 167542079 |
| Molecular Formula | C120H115N19O21S10 |
| Molecular Weight | 2480.02 g/mol |
| Exact Mass | 2477.57 |
| IUPAC Name | N-benzyl-3-methoxy-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(furan-2-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-5-ylmethyl)pyrazin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-oxazol-2-ylmethyl)pyridin-2-amine;2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyridine;2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine |
| SMILES | COc1ncc(-c2ccc(S(C)(=O)=O)cc2)nc1NCc1ccccc1.COc1ncc(NCc2ccccn2)nc1-c1ccc(S(C)(=O)=O)cc1.COc1ncc(NCc2cnco2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3ncco3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(CCc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(SCc3ccco3)n2)cc1.C[C@@H](Oc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccs1 |
| InChI | InChI=1S/C19H19N3O3S.C18H18N4O3S.C18H17NO3S2.C17H16N2O2S2.C16H16N4O4S.C16H15N3O3S.C16H14N2O3S2/c1-25-19-18(20-12-14-6-4-3-5-7-14)22-17(13-21-19)15-8-10-16(11-9-15)26(2,23)24;1-25-18-17(13-6-8-15(9-7-13)26(2,23)24)22-16(12-21-18)20-11-14-5-3-4-10-19-14;1-13(17-6-4-12-23-17)22-18-7-3-5-16(19-18)14-8-10-15(11-9-14)24(2,20)21;1-23(20,21)16-8-4-13(5-9-16)17-12-18-11-14(19-17)6-7-15-3-2-10-22-15;1-23-16-15(11-3-5-13(6-4-11)25(2,21)22)20-14(9-19-16)18-8-12-7-17-10-24-12;1-23(20,21)13-7-5-12(6-8-13)14-3-2-4-15(19-14)18-11-16-17-9-10-22-16;1-23(19,20)14-6-4-12(5-7-14)15-9-17-10-16(18-15)22-11-13-3-2-8-21-13/h3-11,13H,12H2,1-2H3,(H,20,22);3-10,12H,11H2,1-2H3,(H,20,22);3-13H,1-2H3;2-5,8-12H,6-7H2,1H3;3-7,9-10H,8H2,1-2H3,(H,18,20);2-10H,11H2,1H3,(H,18,19);2-10H,11H2,1H3/t;;13-;;;;/m..1..../s1 |
| InChIKey | BICFUGUHQFIZCM-YZGJWYBQSA-N |
| XLogP | 21.82 |
| TPSA | 556.79 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 170 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2480.02 |
| LogP ≤ 5 | 21.82 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 43 |