C224H327N15O13S4 — CID 161196503
tert-butyl N-(2-tert-butylphenyl)carbamate;1-tert-butyl-2-cyclobutylbenzene;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-ethylsulfonylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;1-(2-tert-butylphenyl)propan-1-one;5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;2-tert-butyl-3-propan-2-ylpyridine (PubChem CID 161196503) has the molecular formula C224H327N15O13S4 and a molecular weight of 3566.44 g/mol. Its IUPAC name is tert-butyl N-(2-tert-butylphenyl)carbamate;1-tert-butyl-2-cyclobutylbenzene;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-ethylsulfonylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;1-(2-tert-butylphenyl)propan-1-one;5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;2-tert-butyl-3-propan-2-ylpyridine.
| Compound Name | tert-butyl N-(2-tert-butylphenyl)carbamate;1-tert-butyl-2-cyclobutylbenzene;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-ethylsulfonylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;1-(2-tert-butylphenyl)propan-1-one;5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;2-tert-butyl-3-propan-2-ylpyridine |
|---|---|
| PubChem CID | 161196503 |
| Molecular Formula | C224H327N15O13S4 |
| Molecular Weight | 3566.44 g/mol |
| Exact Mass | 3563.43 |
| IUPAC Name | tert-butyl N-(2-tert-butylphenyl)carbamate;1-tert-butyl-2-cyclobutylbenzene;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-ethylsulfonylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;1-(2-tert-butylphenyl)propan-1-one;5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;2-tert-butyl-3-propan-2-ylpyridine |
| SMILES | CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1.CC(C)(C)OC(=O)Nc1ccccc1C(C)(C)C.CC(C)(C)c1ccccc1-c1ncc[nH]1.CC(C)(C)c1ccccc1C1=CCC=N1.CC(C)(C)c1ccccc1C1CCC1.CC(C)(C)c1ccccc1C1CCCCC1.CC(C)c1cccnc1C(C)(C)C.CC1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)C1.CCC(=O)c1ccccc1C(C)(C)C.CCS(=O)(=O)c1ccccc1C(C)(C)C.CN(C)C(=O)c1ccccc1C(C)(C)C.CN(c1cccc(C(C)(C)C)c1)S(C)(=O)=O.CN1CC(c2ccccc2C(C)(C)C)C1.CN1CCC(c2ccccc2C(C)(C)C)C1.CN1CCC(c2ccccc2C(C)(C)C)CC1.Cn1ccnc1-c1ccccc1C(C)(C)C |
| InChI | InChI=1S/C16H24N2O3S.C16H25N.C16H24.C15H23NO2S.C15H23NO2.C15H23N.C14H18N2.C14H21N.C14H17N.C14H20.C13H16N2.C13H19NO.C13H18O.C12H19NO2S.C12H19N.C12H18O2S/c1-13(19)17-9-11-18(12-10-17)22(20,21)15-8-6-5-7-14(15)16(2,3)4;1-16(2,3)15-8-6-5-7-14(15)13-9-11-17(4)12-10-13;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-12-9-10-16(11-12)19(17,18)14-8-6-5-7-13(14)15(2,3)4;1-14(2,3)11-9-7-8-10-12(11)16-13(17)18-15(4,5)6;1-15(2,3)14-8-6-5-7-13(14)12-9-10-16(4)11-12;1-14(2,3)12-8-6-5-7-11(12)13-15-9-10-16(13)4;1-14(2,3)13-8-6-5-7-12(13)11-9-15(4)10-11;1-14(2,3)12-8-5-4-7-11(12)13-9-6-10-15-13;1-14(2,3)13-10-5-4-9-12(13)11-7-6-8-11;1-13(2,3)11-7-5-4-6-10(11)12-14-8-9-15-12;1-13(2,3)11-9-7-6-8-10(11)12(15)14(4)5;1-5-12(14)10-8-6-7-9-11(10)13(2,3)4;1-12(2,3)10-7-6-8-11(9-10)13(4)16(5,14)15;1-9(2)10-7-6-8-13-11(10)12(3,4)5;1-5-15(13,14)11-9-7-6-8-10(11)12(2,3)4/h5-8H,9-12H2,1-4H3;5-8,13H,9-12H2,1-4H3;7-8,11-13H,4-6,9-10H2,1-3H3;5-8,12H,9-11H2,1-4H3;7-10H,1-6H3,(H,16,17);5-8,12H,9-11H2,1-4H3;5-10H,1-4H3;5-8,11H,9-10H2,1-4H3;4-5,7-10H,6H2,1-3H3;4-5,9-11H,6-8H2,1-3H3;4-9H,1-3H3,(H,14,15);6-9H,1-5H3;6-9H,5H2,1-4H3;6-9H,1-5H3;6-9H,1-5H3;6-9H,5H2,1-4H3 |
| InChIKey | UUKKBSOTBFUFMP-UHFFFAOYSA-N |
| XLogP | 54.16 |
| TPSA | 323.77 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 256 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3566.44 |
| LogP ≤ 5 | 54.16 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 21 |