C240H358N18O17S6 — CID 158169144
4-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylaniline;bis(1-tert-butyl-2-methylsulfonylbenzene);1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;4-[(3-tert-butylphenyl)methyl]morpholine;1-(2-tert-butylphenyl)-4-methylpiperazine;5-(3-tert-butylphenyl)-1-methylpyrazole;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;tetrakis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole (PubChem CID 158169144) has the molecular formula C240H358N18O17S6 and a molecular weight of 3960.01 g/mol. Its IUPAC name is 4-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylaniline;bis(1-tert-butyl-2-methylsulfonylbenzene);1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;4-[(3-tert-butylphenyl)methyl]morpholine;1-(2-tert-butylphenyl)-4-methylpiperazine;5-(3-tert-butylphenyl)-1-methylpyrazole;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;tetrakis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole.
| Compound Name | 4-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylaniline;bis(1-tert-butyl-2-methylsulfonylbenzene);1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;4-[(3-tert-butylphenyl)methyl]morpholine;1-(2-tert-butylphenyl)-4-methylpiperazine;5-(3-tert-butylphenyl)-1-methylpyrazole;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;tetrakis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole |
|---|---|
| PubChem CID | 158169144 |
| Molecular Formula | C240H358N18O17S6 |
| Molecular Weight | 3960.01 g/mol |
| Exact Mass | 3956.60 |
| IUPAC Name | 4-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylaniline;bis(1-tert-butyl-2-methylsulfonylbenzene);1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;4-[(3-tert-butylphenyl)methyl]morpholine;1-(2-tert-butylphenyl)-4-methylpiperazine;5-(3-tert-butylphenyl)-1-methylpyrazole;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;tetrakis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole |
| SMILES | CC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.CC(C)(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CC(C)(C)c1ccccc1C1=NCC=C1.CC(C)(C)c1ccccc1N1CCCCC1.CC(C)(C)c1ccccc1N1CCCCC1.CC(C)(C)c1ccccc1N1CCCCC1.CC(C)(C)c1ccccc1N1CCCCC1.CC(C)(C)c1ccccc1NS(C)(=O)=O.CC(C)(C)c1ccccc1S(C)(=O)=O.CC(C)(C)c1ccccc1S(C)(=O)=O.CN(C)CCOc1ccccc1C(C)(C)C.CN(C)c1ccccc1C(C)(C)C.CN1CCN(c2ccccc2C(C)(C)C)CC1.Cn1nccc1-c1cccc(C(C)(C)C)c1 |
| InChI | InChI=1S/C16H24N2O.C15H24N2.C15H21NO2.C15H23NO.4C15H23N.C14H18N2.C14H23NO.C14H17N.C12H19N.2C11H17NO2S.3C11H16O2S.C10H15NO2S/c1-13(19)17-9-11-18(12-10-17)15-8-6-5-7-14(15)16(2,3)4;1-15(2,3)13-7-5-6-8-14(13)17-11-9-16(4)10-12-17;1-15(2,3)13-6-4-5-12(11-13)14(17)16-7-9-18-10-8-16;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;4*1-15(2,3)13-9-5-6-10-14(13)16-11-7-4-8-12-16;1-14(2,3)12-7-5-6-11(10-12)13-8-9-15-16(13)4;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;1-12(2,3)10-8-6-7-9-11(10)13(4)5;1-11(2,3)9-5-7-10(8-6-9)12-15(4,13)14;1-11(2,3)9-7-5-6-8-10(9)12-15(4,13)14;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;2*1-11(2,3)9-7-5-6-8-10(9)14(4,12)13;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h5-8H,9-12H2,1-4H3;5-8H,9-12H2,1-4H3;4-6,11H,7-10H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;4*5-6,9-10H,4,7-8,11-12H2,1-3H3;5-10H,1-4H3;6-9H,10-11H2,1-5H3;4-9H,10H2,1-3H3;6-9H,1-5H3;2*5-8,12H,1-4H3;3*5-8H,1-4H3;4-7H,1-3H3,(H2,11,12,13) |
| InChIKey | FXFRAMUCVHFATG-UHFFFAOYSA-N |
| XLogP | 52.77 |
| TPSA | 385.81 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 281 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3960.01 |
| LogP ≤ 5 | 52.77 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 30 |