C167H157N27O30S18 — CID 167587880
N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-(2-methoxyethoxy)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-methoxy-2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethoxy)pyrimidine;5-methoxy-6-(5-methylsulfonyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-[(5-methylthiophen-2-yl)methoxy]pyrazine;2-(4-methylsulfonylphenyl)-6-phenoxypyrazine;2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyrazine;2-(4-methylsulfonylphenyl)-6-(thiophen-3-ylmethoxy)pyrazine;6-(5-methylsulfonyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-methylsulfonyl-2-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]phenol (PubChem CID 167587880) has the molecular formula C167H157N27O30S18 and a molecular weight of 3599.46 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-(2-methoxyethoxy)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-methoxy-2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethoxy)pyrimidine;5-methoxy-6-(5-methylsulfonyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-[(5-methylthiophen-2-yl)methoxy]pyrazine;2-(4-methylsulfonylphenyl)-6-phenoxypyrazine;2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyrazine;2-(4-methylsulfonylphenyl)-6-(thiophen-3-ylmethoxy)pyrazine;6-(5-methylsulfonyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-methylsulfonyl-2-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]phenol.
| Compound Name | N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-(2-methoxyethoxy)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-methoxy-2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethoxy)pyrimidine;5-methoxy-6-(5-methylsulfonyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-[(5-methylthiophen-2-yl)methoxy]pyrazine;2-(4-methylsulfonylphenyl)-6-phenoxypyrazine;2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyrazine;2-(4-methylsulfonylphenyl)-6-(thiophen-3-ylmethoxy)pyrazine;6-(5-methylsulfonyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-methylsulfonyl-2-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]phenol |
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| PubChem CID | 167587880 |
| Molecular Formula | C167H157N27O30S18 |
| Molecular Weight | 3599.46 g/mol |
| Exact Mass | 3595.66 |
| IUPAC Name | N-(furan-3-ylmethyl)-6-(4-methylsulfonylphenyl)pyridin-2-amine;5-(2-methoxyethoxy)-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-methoxy-2-(4-methylsulfonylphenyl)-4-(thiophen-2-ylmethoxy)pyrimidine;5-methoxy-6-(5-methylsulfonyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;2-(4-methylsulfonylphenyl)-6-[(5-methylthiophen-2-yl)methoxy]pyrazine;2-(4-methylsulfonylphenyl)-6-phenoxypyrazine;2-(4-methylsulfonylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyrazine;2-(4-methylsulfonylphenyl)-6-(thiophen-3-ylmethoxy)pyrazine;6-(5-methylsulfonyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-methylsulfonyl-2-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]phenol |
| SMILES | COCCOc1ncc(NCc2cccs2)nc1-c1ccc(S(C)(=O)=O)cc1.COc1cnc(-c2ccc(S(C)(=O)=O)cc2)nc1OCc1cccs1.COc1ncc(NCc2cccs2)nc1-c1ccc(S(C)(=O)=O)cn1.CS(=O)(=O)c1ccc(-c2cccc(NCc3ccoc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3cccs3)n2)c(O)c1.CS(=O)(=O)c1ccc(-c2cncc(NCc3cccs3)n2)nc1.CS(=O)(=O)c1ccc(-c2cncc(OCc3ccsc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(Oc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(SCc3ccccn3)n2)cc1.Cc1ccc(COc2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)s1 |
| InChI | InChI=1S/C19H21N3O4S2.C17H15N3O2S2.C17H16N2O4S2.C17H16N2O3S2.C17H16N2O3S.C17H14N2O3S.C16H16N4O3S2.C16H15N3O3S2.C16H14N2O3S2.C15H14N4O2S2/c1-25-9-10-26-19-18(14-5-7-16(8-6-14)28(2,23)24)22-17(13-21-19)20-12-15-4-3-11-27-15;1-24(21,22)15-7-5-13(6-8-15)16-10-18-11-17(20-16)23-12-14-4-2-3-9-19-14;1-22-15-10-18-16(12-5-7-14(8-6-12)25(2,20)21)19-17(15)23-11-13-4-3-9-24-13;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)15-7-5-14(6-8-15)16-3-2-4-17(19-16)18-11-13-9-10-22-12-13;1-23(20,21)15-9-7-13(8-10-15)16-11-18-12-17(19-16)22-14-5-3-2-4-6-14;1-23-16-15(13-6-5-12(9-17-13)25(2,21)22)20-14(10-19-16)18-8-11-4-3-7-24-11;1-24(21,22)12-4-5-13(15(20)7-12)14-9-17-10-16(19-14)18-8-11-3-2-6-23-11;1-23(19,20)14-4-2-13(3-5-14)15-8-17-9-16(18-15)21-10-12-6-7-22-11-12;1-23(20,21)12-4-5-13(17-8-12)14-9-16-10-15(19-14)18-7-11-3-2-6-22-11/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,22);2-11H,12H2,1H3;3-10H,11H2,1-2H3;3-10H,11H2,1-2H3;2-10,12H,11H2,1H3,(H,18,19);2-12H,1H3;3-7,9-10H,8H2,1-2H3,(H,18,20);2-7,9-10,20H,8H2,1H3,(H,18,19);2-9,11H,10H2,1H3;2-6,8-10H,7H2,1H3,(H,18,19) |
| InChIKey | IAPONQWKLFBRFC-UHFFFAOYSA-N |
| XLogP | 31.22 |
| TPSA | 792.34 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 65 |
| Rotatable Bonds | 55 |
| Heavy Atoms | 242 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3599.46 |
| LogP ≤ 5 | 31.22 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 65 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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