C210H307N15O18S6 — CID 159901905
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;4-[(3-tert-butylphenyl)methyl]morpholine;5-(3-tert-butylphenyl)-1-methylpyrazole;bis(4-(2-tert-butylphenyl)morpholine);1-(3-tert-butylphenyl)propan-2-one;5-(2-tert-butylphenyl)-1H-pyrazole (PubChem CID 159901905) has the molecular formula C210H307N15O18S6 and a molecular weight of 3522.25 g/mol. Its IUPAC name is 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;4-[(3-tert-butylphenyl)methyl]morpholine;5-(3-tert-butylphenyl)-1-methylpyrazole;bis(4-(2-tert-butylphenyl)morpholine);1-(3-tert-butylphenyl)propan-2-one;5-(2-tert-butylphenyl)-1H-pyrazole.
| Compound Name | 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;4-[(3-tert-butylphenyl)methyl]morpholine;5-(3-tert-butylphenyl)-1-methylpyrazole;bis(4-(2-tert-butylphenyl)morpholine);1-(3-tert-butylphenyl)propan-2-one;5-(2-tert-butylphenyl)-1H-pyrazole |
|---|---|
| PubChem CID | 159901905 |
| Molecular Formula | C210H307N15O18S6 |
| Molecular Weight | 3522.25 g/mol |
| Exact Mass | 3519.19 |
| IUPAC Name | 3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;4-tert-butylbenzenesulfonamide;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;4-[(3-tert-butylphenyl)methyl]morpholine;5-(3-tert-butylphenyl)-1-methylpyrazole;bis(4-(2-tert-butylphenyl)morpholine);1-(3-tert-butylphenyl)propan-2-one;5-(2-tert-butylphenyl)-1H-pyrazole |
| SMILES | CC(=O)Cc1cccc(C(C)(C)C)c1.CC(=O)Nc1ccccc1C(C)(C)C.CC(C)(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CC(C)(C)c1ccccc1-c1ccn[nH]1.CC(C)(C)c1ccccc1C1CCCCC1.CC(C)(C)c1ccccc1N1CCOCC1.CC(C)(C)c1ccccc1N1CCOCC1.CC(C)(C)c1ccccc1NS(C)(=O)=O.CC(C)(C)c1ccccc1S(C)(=O)=O.CC(C)(C)c1ccccc1S(N)(=O)=O.CN(C)c1ccc(C(C)(C)C)cc1.CN(C)c1ccccc1C(C)(C)C.Cn1nccc1-c1cccc(C(C)(C)C)c1 |
| InChI | InChI=1S/C16H24.C15H23NO.C14H18N2.2C14H21NO.C13H16N2.C13H18O.C12H17NO.2C12H19N.2C11H17NO2S.C11H15NO.2C11H16O2S.2C10H15NO2S/c1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-14(2,3)12-7-5-6-11(10-12)13-8-9-15-16(13)4;2*1-14(2,3)12-6-4-5-7-13(12)15-8-10-16-11-9-15;1-13(2,3)11-7-5-4-6-10(11)12-8-9-14-15-12;1-10(14)8-11-6-5-7-12(9-11)13(2,3)4;1-9(14)13-11-8-6-5-7-10(11)12(2,3)4;1-12(2,3)10-6-8-11(9-7-10)13(4)5;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)9-6-4-5-8(7-9)10(12)13;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;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;1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h7-8,11-13H,4-6,9-10H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;5-10H,1-4H3;2*4-7H,8-11H2,1-3H3;4-9H,1-3H3,(H,14,15);5-7,9H,8H2,1-4H3;5-8H,1-4H3,(H,13,14);2*6-9H,1-5H3;2*5-8,12H,1-4H3;4-7H,1-3H3,(H2,12,13);2*5-8H,1-4H3;2*4-7H,1-3H3,(H2,11,12,13) |
| InChIKey | NWBMIMKUPFFQBU-UHFFFAOYSA-N |
| XLogP | 47.24 |
| TPSA | 460.59 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 249 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3522.25 |
| LogP ≤ 5 | 47.24 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 26 |