C255H386N18O18S7 — CID 158215308
1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);1-(2-tert-butylphenyl)propan-1-one;5-(2-tert-butylphenyl)-2H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpiperidine;1-(2-tert-butylphenyl)sulfonylpyrrolidine (PubChem CID 158215308) has the molecular formula C255H386N18O18S7 and a molecular weight of 4216.47 g/mol. Its IUPAC name is 1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);1-(2-tert-butylphenyl)propan-1-one;5-(2-tert-butylphenyl)-2H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpiperidine;1-(2-tert-butylphenyl)sulfonylpyrrolidine.
| Compound Name | 1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);1-(2-tert-butylphenyl)propan-1-one;5-(2-tert-butylphenyl)-2H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpiperidine;1-(2-tert-butylphenyl)sulfonylpyrrolidine |
|---|---|
| PubChem CID | 158215308 |
| Molecular Formula | C255H386N18O18S7 |
| Molecular Weight | 4216.47 g/mol |
| Exact Mass | 4212.79 |
| IUPAC Name | 1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);1-(2-tert-butylphenyl)propan-1-one;5-(2-tert-butylphenyl)-2H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpiperidine;1-(2-tert-butylphenyl)sulfonylpyrrolidine |
| SMILES | CC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CC(C)(C)c1ccccc1C1=NCC=C1.CC(C)(C)c1ccccc1C1CCCCC1.CC(C)(C)c1ccccc1N1CCCCC1.CC(C)(C)c1ccccc1N1CCCCC1.CC(C)(C)c1ccccc1N1CCN(S(C)(=O)=O)CC1.CC(C)(C)c1ccccc1N1CCNCC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCCC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCCCC1.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(C)CCOc1ccccc1C(C)(C)C.CN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN1CCCC(c2ccccc2C(C)(C)C)C1.CN1CCN(c2ccccc2C(C)(C)C)CC1 |
| InChI | InChI=1S/C16H24N2O.C16H25N.C16H24.C15H24N2O2S.C15H24N2.2C15H23NO2S.2C15H23N.C14H22N2.C14H21NO2S.C14H23NO.C14H17N.C13H19NO.C13H18O.C12H19NO2S.C12H18O2S.C11H16O2S/c1-13(19)17-9-11-18(12-10-17)15-8-6-5-7-14(15)16(2,3)4;1-16(2,3)15-10-6-5-9-14(15)13-8-7-11-17(4)12-13;1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-15(2,3)13-7-5-6-8-14(13)16-9-11-17(12-10-16)20(4,18)19;1-15(2,3)13-7-5-6-8-14(13)17-11-9-16(4)10-12-17;1-12-9-10-16(11-12)19(17,18)14-8-6-5-7-13(14)15(2,3)4;1-15(2,3)13-9-5-6-10-14(13)19(17,18)16-11-7-4-8-12-16;2*1-15(2,3)13-9-5-6-10-14(13)16-11-7-4-8-12-16;1-14(2,3)12-6-4-5-7-13(12)16-10-8-15-9-11-16;1-14(2,3)12-8-4-5-9-13(12)18(16,17)15-10-6-7-11-15;1-14(2,3)12-8-6-7-9-13(12)16-11-10-15(4)5;1-14(2,3)12-8-5-4-7-11(12)13-9-6-10-15-13;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)10-8-6-7-9-11(10)16(14,15)13(4)5;1-5-15(13,14)11-9-7-6-8-10(11)12(2,3)4;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13/h5-8H,9-12H2,1-4H3;5-6,9-10,13H,7-8,11-12H2,1-4H3;7-8,11-13H,4-6,9-10H2,1-3H3;5-8H,9-12H2,1-4H3;5-8H,9-12H2,1-4H3;5-8,12H,9-11H2,1-4H3;5-6,9-10H,4,7-8,11-12H2,1-3H3;2*5-6,9-10H,4,7-8,11-12H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-5,8-9H,6-7,10-11H2,1-3H3;6-9H,10-11H2,1-5H3;4-9H,10H2,1-3H3;6-9H,1-5H3;6-9H,5H2,1-4H3;6-9H,1-5H3;6-9H,5H2,1-4H3;5-8H,1-4H3 |
| InChIKey | GCOOFOCTKICXKS-UHFFFAOYSA-N |
| XLogP | 55.49 |
| TPSA | 375.65 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 298 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4216.47 |
| LogP ≤ 5 | 55.49 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 29 |