C169H156N26O29S15 — CID 167562709
N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(furan-3-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;2-[(5-methylfuran-2-yl)methoxy]-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylphenoxy)-6-(4-methylsulfonylphenyl)pyrazine;N-[(6-methyl-3-pyridinyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-oxazol-5-ylmethyl)pyrazin-2-amine;(1S)-1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]-2-thiophen-2-ylethanol;1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]-2-thiophen-2-ylethanone;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;1-[5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-yl]ethanone (PubChem CID 167562709) has the molecular formula C169H156N26O29S15 and a molecular weight of 3496.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(furan-3-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;2-[(5-methylfuran-2-yl)methoxy]-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylphenoxy)-6-(4-methylsulfonylphenyl)pyrazine;N-[(6-methyl-3-pyridinyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-oxazol-5-ylmethyl)pyrazin-2-amine;(1S)-1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]-2-thiophen-2-ylethanol;1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]-2-thiophen-2-ylethanone;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;1-[5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-yl]ethanone.
| Compound Name | N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(furan-3-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;2-[(5-methylfuran-2-yl)methoxy]-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylphenoxy)-6-(4-methylsulfonylphenyl)pyrazine;N-[(6-methyl-3-pyridinyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-oxazol-5-ylmethyl)pyrazin-2-amine;(1S)-1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]-2-thiophen-2-ylethanol;1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]-2-thiophen-2-ylethanone;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;1-[5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-yl]ethanone |
|---|---|
| PubChem CID | 167562709 |
| Molecular Formula | C169H156N26O29S15 |
| Molecular Weight | 3496.26 g/mol |
| Exact Mass | 3492.73 |
| IUPAC Name | N-(furan-2-ylmethyl)-6-(4-methylsulfonylphenyl)pyrazin-2-amine;2-(furan-3-ylmethylsulfanyl)-6-(4-methylsulfonylphenyl)pyrazine;2-[(5-methylfuran-2-yl)methoxy]-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylphenoxy)-6-(4-methylsulfonylphenyl)pyrazine;N-[(6-methyl-3-pyridinyl)methyl]-6-(4-methylsulfonylphenyl)pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,2-oxazol-5-ylmethyl)pyrazin-2-amine;(1S)-1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]-2-thiophen-2-ylethanol;1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]-2-thiophen-2-ylethanone;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;1-[5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-yl]ethanone |
| SMILES | CC(=O)c1ncc(-c2ccc(S(C)(=O)=O)cc2)nc1NCc1cccs1.CS(=O)(=O)c1ccc(-c2cccc(C(=O)Cc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cccc([C@@H](O)Cc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccco3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccno3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3nccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(SCc3ccoc3)n2)cc1.Cc1ccc(CNc2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)cn1.Cc1ccc(COc2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)o1.Cc1ccc(Oc2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 |
| InChI | InChI=1S/C18H18N4O2S.C18H17N3O3S2.C18H16N2O3S.C18H17NO3S2.C18H15NO3S2.C17H16N2O4S.C16H15N3O3S.C16H14N2O3S2.C15H14N4O3S.C15H14N4O2S2/c1-13-3-4-14(9-20-13)10-21-18-12-19-11-17(22-18)15-5-7-16(8-6-15)25(2,23)24;1-12(22)17-18(20-10-14-4-3-9-25-14)21-16(11-19-17)13-5-7-15(8-6-13)26(2,23)24;1-13-3-7-15(8-4-13)23-18-12-19-11-17(20-18)14-5-9-16(10-6-14)24(2,21)22;2*1-24(21,22)15-9-7-13(8-10-15)16-5-2-6-17(19-16)18(20)12-14-4-3-11-23-14;1-12-3-6-14(23-12)11-22-17-10-18-9-16(19-17)13-4-7-15(8-5-13)24(2,20)21;1-23(20,21)14-6-4-12(5-7-14)15-10-17-11-16(19-15)18-9-13-3-2-8-22-13;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;1-23(20,21)13-4-2-11(3-5-13)14-9-16-10-15(19-14)17-8-12-6-7-18-22-12;1-23(20,21)12-4-2-11(3-5-12)13-8-16-9-14(19-13)18-10-15-17-6-7-22-15/h3-9,11-12H,10H2,1-2H3,(H,21,22);3-9,11H,10H2,1-2H3,(H,20,21);3-12H,1-2H3;2-11,18,20H,12H2,1H3;2-11H,12H2,1H3;3-10H,11H2,1-2H3;2-8,10-11H,9H2,1H3,(H,18,19);2-10H,11H2,1H3;2-7,9-10H,8H2,1H3,(H,17,19);2-9H,10H2,1H3,(H,18,19)/t;;;18-;;;;;;/m...0....../s1 |
| InChIKey | DWIOOBODAPKOJY-VBLVFOSWSA-N |
| XLogP | 31.04 |
| TPSA | 797.63 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 60 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 239 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3496.26 |
| LogP ≤ 5 | 31.04 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 60 |