C122H158N22O6S2 — CID 159096340
1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one (PubChem CID 159096340) has the molecular formula C122H158N22O6S2 and a molecular weight of 2092.89 g/mol. Its IUPAC name is 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one.
| Compound Name | 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one |
|---|---|
| PubChem CID | 159096340 |
| Molecular Formula | C122H158N22O6S2 |
| Molecular Weight | 2092.89 g/mol |
| Exact Mass | 2091.22 |
| IUPAC Name | 1-(6-tert-butylnaphthalen-2-yl)-4-(diethylamino)butan-1-one;4-tert-butyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-(2-tert-butyl-7-propan-2-ylpurin-6-yl)pyrrolidin-3-amine;(4-tert-butylquinolin-7-yl)methanamine;2-[(3-tert-butylquinoxalin-2-yl)amino]-N-methylbenzamide;N-(3-tert-butylquinoxalin-2-yl)benzenesulfonamide;1-(3-tert-butylquinoxalin-2-yl)butan-2-one |
| SMILES | CC(C)(C)c1ccnc2cc(CN)ccc12.CC(C)(C)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.CC(C)(C)c1ncnc2sc(C(=O)NC3CCCNC3)cc12.CC(C)n1cnc2nc(C(C)(C)C)nc(N3CCC(N)C3)c21.CCC(=O)Cc1nc2ccccc2nc1C(C)(C)C.CCN(CC)CCCC(=O)c1ccc2cc(C(C)(C)C)ccc2c1.CNC(=O)c1ccccc1Nc1nc2ccccc2nc1C(C)(C)C |
| InChI | InChI=1S/C22H31NO.C20H22N4O.C18H19N3O2S.C16H26N6.C16H22N4OS.C16H20N2O.C14H18N2/c1-6-23(7-2)14-8-9-21(24)19-11-10-18-16-20(22(3,4)5)13-12-17(18)15-19;1-20(2,3)17-18(24-16-12-8-7-11-15(16)22-17)23-14-10-6-5-9-13(14)19(25)21-4;1-18(2,3)16-17(20-15-12-8-7-11-14(15)19-16)21-24(22,23)13-9-5-4-6-10-13;1-10(2)22-9-18-13-12(22)14(21-7-6-11(17)8-21)20-15(19-13)16(3,4)5;1-16(2,3)13-11-7-12(22-15(11)19-9-18-13)14(21)20-10-5-4-6-17-8-10;1-5-11(19)10-14-15(16(2,3)4)18-13-9-7-6-8-12(13)17-14;1-14(2,3)12-6-7-16-13-8-10(9-15)4-5-11(12)13/h10-13,15-16H,6-9,14H2,1-5H3;5-12H,1-4H3,(H,21,25)(H,23,24);4-12H,1-3H3,(H,20,21);9-11H,6-8,17H2,1-5H3;7,9-10,17H,4-6,8H2,1-3H3,(H,20,21);6-9H,5,10H2,1-4H3;4-8H,9,15H2,1-3H3 |
| InChIKey | KCSHGSOBSDXXHK-UHFFFAOYSA-N |
| XLogP | 24.35 |
| TPSA | 380.70 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2092.89 |
| LogP ≤ 5 | 24.35 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 26 |