C157H190N28O19S2 — CID 158649242
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 158649242) has the molecular formula C157H190N28O19S2 and a molecular weight of 2837.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide.
| Compound Name | 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide |
|---|---|
| PubChem CID | 158649242 |
| Molecular Formula | C157H190N28O19S2 |
| Molecular Weight | 2837.56 g/mol |
| Exact Mass | 2835.42 |
| IUPAC Name | 4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide |
| SMILES | CC(C)(C)c1cc(N2CCOCC2)nc(NC(=O)c2ccccc2)n1.CCCCCCCCOc1ccc(C(=O)Nc2nc(C)cc(NC(=O)c3ccc(C)cc3)n2)cc1.Cc1cc(NC(=O)c2ccc(C(=O)N(C)C)cc2)nc(NC(=O)c2ccc(C(=O)N(C)C)cc2)n1.Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.Cc1cc(NC(=O)c2ccc(C(C)(C)CC(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)CC(C)(C)C)cc2)n1.Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 |
| InChI | InChI=1S/C35H48N4O2.C28H34N4O3.C27H32N4O2.C25H26N6O4.C23H26N6O6S2.C19H24N4O2/c1-23-20-28(37-29(40)24-12-16-26(17-13-24)34(8,9)21-32(2,3)4)38-31(36-23)39-30(41)25-14-18-27(19-15-25)35(10,11)22-33(5,6)7;1-4-5-6-7-8-9-18-35-24-16-14-23(15-17-24)27(34)32-28-29-21(3)19-25(31-28)30-26(33)22-12-10-20(2)11-13-22;1-17-16-22(29-23(32)18-8-12-20(13-9-18)26(2,3)4)30-25(28-17)31-24(33)19-10-14-21(15-11-19)27(5,6)7;1-15-14-20(27-21(32)16-6-10-18(11-7-16)23(34)30(2)3)28-25(26-15)29-22(33)17-8-12-19(13-9-17)24(35)31(4)5;1-15-14-20(25-21(30)16-6-10-18(11-7-16)36(32,33)28(2)3)26-23(24-15)27-22(31)17-8-12-19(13-9-17)37(34,35)29(4)5;1-19(2,3)15-13-16(23-9-11-25-12-10-23)21-18(20-15)22-17(24)14-7-5-4-6-8-14/h12-20H,21-22H2,1-11H3,(H2,36,37,38,39,40,41);10-17,19H,4-9,18H2,1-3H3,(H2,29,30,31,32,33,34);8-16H,1-7H3,(H2,28,29,30,31,32,33);6-14H,1-5H3,(H2,26,27,28,29,32,33);6-14H,1-5H3,(H2,24,25,26,27,30,31);4-8,13H,9-12H2,1-3H3,(H,20,21,22,24) |
| InChIKey | IBIOPSGIZAXOIM-UHFFFAOYSA-N |
| XLogP | 28.29 |
| TPSA | 611.86 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 206 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2837.56 |
| LogP ≤ 5 | 28.29 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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