C128H128N28O18S2 — CID 157073938
N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide (PubChem CID 157073938) has the molecular formula C128H128N28O18S2 and a molecular weight of 2410.74 g/mol. Its IUPAC name is N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide.
| Compound Name | N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide |
|---|---|
| PubChem CID | 157073938 |
| Molecular Formula | C128H128N28O18S2 |
| Molecular Weight | 2410.74 g/mol |
| Exact Mass | 2408.94 |
| IUPAC Name | N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide |
| SMILES | COc1cccc(C(=O)N(C)c2nccc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nccc(Nc3ccccc3)n2)c1.Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1.Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(N3CCOCC3)nc(NC(=O)c3cccc(C)c3)n2)c1.O=C(Nc1cc(N2CCOCC2)nc(NC(=O)c2ccccc2)n1)c1ccccc1 |
| InChI | InChI=1S/C26H22N4O2.C24H25N5O3.C23H26N6O6S2.C22H21N5O3.C18H16N4O2.C15H18N4O2/c1-17-8-6-12-20(14-17)24(31)28-23-16-22(19-10-4-3-5-11-19)27-26(29-23)30-25(32)21-13-7-9-18(2)15-21;1-16-5-3-7-18(13-16)22(30)25-20-15-21(29-9-11-32-12-10-29)27-24(26-20)28-23(31)19-8-4-6-17(2)14-19;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;28-20(16-7-3-1-4-8-16)23-18-15-19(27-11-13-30-14-12-27)25-22(24-18)26-21(29)17-9-5-2-6-10-17;1-24-15-9-5-6-13(12-15)17(23)22-18-19-11-10-16(21-18)20-14-7-3-2-4-8-14;1-18(2)13-8-9-16-15(17-13)19(3)14(20)11-6-5-7-12(10-11)21-4/h3-16H,1-2H3,(H2,27,28,29,30,31,32);3-8,13-15H,9-12H2,1-2H3,(H2,25,26,27,28,30,31);6-14H,1-5H3,(H2,24,25,26,27,30,31);1-10,15H,11-14H2,(H2,23,24,25,26,28,29);2-12H,1H3,(H2,19,20,21,22,23);5-10H,1-4H3 |
| InChIKey | ACTDKLSXUYWXOD-UHFFFAOYSA-N |
| XLogP | 18.62 |
| TPSA | 570.32 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 176 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2410.74 |
| LogP ≤ 5 | 18.62 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 34 |