C156H158Br2N38O30S12 — CID 159971387
N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-2-cyclopropyl-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine (PubChem CID 159971387) has the molecular formula C156H158Br2N38O30S12 and a molecular weight of 3589.83 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-2-cyclopropyl-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine.
| Compound Name | N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-2-cyclopropyl-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine |
|---|---|
| PubChem CID | 159971387 |
| Molecular Formula | C156H158Br2N38O30S12 |
| Molecular Weight | 3589.83 g/mol |
| Exact Mass | 3584.70 |
| IUPAC Name | N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-2-cyclopropyl-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine |
| SMILES | CCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Br)cc1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(-c2ccncc2)nc1OCCOc1ncc(SC)cn1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(C2CC2)nc1OCCOc1ncc(SC)cn1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(SC)cn1.CSc1cnc(OCCOc2nc(-c3ccncc3)nc(NS(=O)(=O)NCc3ccccc3)c2-c2ccc(C)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccccc3)c2-c2ccc(Br)cc2)nc1 |
| InChI | InChI=1S/C30H29N7O6S2.C30H29N7O4S2.C28H30N6O6S2.C25H26N6O6S2.C24H23BrN6O4S2.C19H21BrN6O4S2/c1-40-24-10-6-7-11-25(24)43-26-28(37-45(38,39)34-18-21-8-4-3-5-9-21)35-27(22-12-14-31-15-13-22)36-29(26)41-16-17-42-30-32-19-23(44-2)20-33-30;1-21-8-10-23(11-9-21)26-28(37-43(38,39)34-18-22-6-4-3-5-7-22)35-27(24-12-14-31-15-13-24)36-29(26)40-16-17-41-30-32-19-25(42-2)20-33-30;1-37-22-10-6-7-11-23(22)40-24-26(34-42(35,36)31-16-19-8-4-3-5-9-19)32-25(20-12-13-20)33-27(24)38-14-15-39-28-29-17-21(41-2)18-30-28;1-34-20-10-6-7-11-21(20)37-22-23(31-39(32,33)30-14-18-8-4-3-5-9-18)28-17-29-24(22)35-12-13-36-25-26-15-19(38-2)16-27-25;1-36-20-14-26-24(27-15-20)35-12-11-34-23-21(18-7-9-19(25)10-8-18)22(28-16-29-23)31-37(32,33)30-13-17-5-3-2-4-6-17;1-3-25-32(27,28)26-17-16(13-4-6-14(20)7-5-13)18(24-12-23-17)29-8-9-30-19-21-10-15(31-2)11-22-19/h3-15,19-20,34H,16-18H2,1-2H3,(H,35,36,37);3-15,19-20,34H,16-18H2,1-2H3,(H,35,36,37);3-11,17-18,20,31H,12-16H2,1-2H3,(H,32,33,34);3-11,15-17,30H,12-14H2,1-2H3,(H,28,29,31);2-10,14-16,30H,11-13H2,1H3,(H,28,29,31);4-7,10-12,25H,3,8-9H2,1-2H3,(H,23,24,26) |
| InChIKey | OEOYYQIMQNCOEL-UHFFFAOYSA-N |
| XLogP | 25.42 |
| TPSA | 850.48 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 62 |
| Rotatable Bonds | 80 |
| Heavy Atoms | 238 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3589.83 |
| LogP ≤ 5 | 25.42 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 62 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|