C118H112N18O20S12 — CID 167564561
2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine;N-(furan-3-ylmethyl)-N-methyl-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-[(Z)-2-thiophen-2-ylethenyl]pyrazine;2-(4-methylsulfonylphenyl)-6-[(1S)-1-thiophen-2-ylethoxy]pyrazine;6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 167564561) has the molecular formula C118H112N18O20S12 and a molecular weight of 2487.10 g/mol. Its IUPAC name is 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine;N-(furan-3-ylmethyl)-N-methyl-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-[(Z)-2-thiophen-2-ylethenyl]pyrazine;2-(4-methylsulfonylphenyl)-6-[(1S)-1-thiophen-2-ylethoxy]pyrazine;6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.
| Compound Name | 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine;N-(furan-3-ylmethyl)-N-methyl-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-[(Z)-2-thiophen-2-ylethenyl]pyrazine;2-(4-methylsulfonylphenyl)-6-[(1S)-1-thiophen-2-ylethoxy]pyrazine;6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine |
|---|---|
| PubChem CID | 167564561 |
| Molecular Formula | C118H112N18O20S12 |
| Molecular Weight | 2487.10 g/mol |
| Exact Mass | 2484.49 |
| IUPAC Name | 2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine;N-(furan-3-ylmethyl)-N-methyl-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-methoxy-6-(4-methylsulfonylphenyl)-N-[(3-methylthiophen-2-yl)methyl]pyrazin-2-amine;5-methoxy-6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-[(Z)-2-thiophen-2-ylethenyl]pyrazine;2-(4-methylsulfonylphenyl)-6-[(1S)-1-thiophen-2-ylethoxy]pyrazine;6-(6-methylsulfonyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine |
| SMILES | CN(Cc1ccoc1)c1cccc(-c2ccc(S(C)(=O)=O)cc2)n1.COc1ncc(NCc2cccs2)nc1-c1ccc(S(C)(=O)=O)nc1.COc1ncc(NCc2sccc2C)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3cccs3)n2)cn1.CS(=O)(=O)c1ccc(-c2cncc(/C=C\c3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(OCc3ccoc3)n2)cc1.C[C@H](Oc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccs1 |
| InChI | InChI=1S/C18H19N3O3S2.C18H18N2O3S.C17H16N2O3S2.C17H14N2O2S2.C16H16N4O3S2.C16H15N3O2S2.C16H14N2O4S/c1-12-8-9-25-15(12)10-19-16-11-20-18(24-2)17(21-16)13-4-6-14(7-5-13)26(3,22)23;1-20(12-14-10-11-23-13-14)18-5-3-4-17(19-18)15-6-8-16(9-7-15)24(2,21)22;1-12(16-4-3-9-23-16)22-17-11-18-10-15(19-17)13-5-7-14(8-6-13)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(11-5-6-14(18-8-11)25(2,21)22)20-13(10-19-16)17-9-12-4-3-7-24-12;1-23(20,21)16-8-7-12(10-18-16)14-5-2-6-15(19-14)17-11-13-4-3-9-22-13;1-23(19,20)14-4-2-13(3-5-14)15-8-17-9-16(18-15)22-11-12-6-7-21-10-12/h4-9,11H,10H2,1-3H3,(H,19,21);3-11,13H,12H2,1-2H3;3-12H,1-2H3;2-12H,1H3;3-8,10H,9H2,1-2H3,(H,17,20);2-10H,11H2,1H3,(H,17,19);2-10H,11H2,1H3/b;;;7-6-;;;/t;;12-;;;;/m..0..../s1 |
| InChIKey | FCLYTQSFODOUIO-HIPQBBLYSA-N |
| XLogP | 23.01 |
| TPSA | 521.97 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2487.10 |
| LogP ≤ 5 | 23.01 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 43 |