C206H287ClF3N15O19S5 — CID 161296224
3-tert-butylbenzamide;bis(4-tert-butylbenzamide);4-tert-butylbenzenesulfonamide;3-tert-butylbenzonitrile;1-tert-butyl-4-chlorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;1-(3-tert-butylphenyl)-2-cyclopropylethanone;N-(3-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(3-tert-butylphenyl)propan-1-one;5-(4-tert-butylphenyl)-2H-tetrazole;1-tert-butyl-4-(trifluoromethyl)benzene;4-[(2-methylpropan-2-yl)oxy]pyridine (PubChem CID 161296224) has the molecular formula C206H287ClF3N15O19S5 and a molecular weight of 3530.43 g/mol. Its IUPAC name is 3-tert-butylbenzamide;bis(4-tert-butylbenzamide);4-tert-butylbenzenesulfonamide;3-tert-butylbenzonitrile;1-tert-butyl-4-chlorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;1-(3-tert-butylphenyl)-2-cyclopropylethanone;N-(3-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(3-tert-butylphenyl)propan-1-one;5-(4-tert-butylphenyl)-2H-tetrazole;1-tert-butyl-4-(trifluoromethyl)benzene;4-[(2-methylpropan-2-yl)oxy]pyridine.
| Compound Name | 3-tert-butylbenzamide;bis(4-tert-butylbenzamide);4-tert-butylbenzenesulfonamide;3-tert-butylbenzonitrile;1-tert-butyl-4-chlorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;1-(3-tert-butylphenyl)-2-cyclopropylethanone;N-(3-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(3-tert-butylphenyl)propan-1-one;5-(4-tert-butylphenyl)-2H-tetrazole;1-tert-butyl-4-(trifluoromethyl)benzene;4-[(2-methylpropan-2-yl)oxy]pyridine |
|---|---|
| PubChem CID | 161296224 |
| Molecular Formula | C206H287ClF3N15O19S5 |
| Molecular Weight | 3530.43 g/mol |
| Exact Mass | 3527.02 |
| IUPAC Name | 3-tert-butylbenzamide;bis(4-tert-butylbenzamide);4-tert-butylbenzenesulfonamide;3-tert-butylbenzonitrile;1-tert-butyl-4-chlorobenzene;3-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N,N-dimethylbenzamide;4-tert-butyl-N-methylbenzamide;1-tert-butyl-4-methylsulfonylbenzene;1-tert-butyl-2-(methylsulfonylmethyl)benzene;1-(3-tert-butylphenyl)-2-cyclopropylethanone;N-(3-tert-butylphenyl)methanesulfonamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(3-tert-butylphenyl)propan-1-one;5-(4-tert-butylphenyl)-2H-tetrazole;1-tert-butyl-4-(trifluoromethyl)benzene;4-[(2-methylpropan-2-yl)oxy]pyridine |
| SMILES | CC(C)(C)Oc1ccncc1.CC(C)(C)c1ccc(-c2nn[nH]n2)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1cccc(C#N)c1.CC(C)(C)c1cccc(C(=O)CC2CC2)c1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)(C)c1cccc(NS(C)(=O)=O)c1.CC(C)(C)c1ccccc1CS(C)(=O)=O.CCC(=O)c1cccc(C(C)(C)C)c1.CN(C)C(=O)c1ccc(C(C)(C)C)cc1.CN(C)C(=O)c1cccc(C(C)(C)C)c1.CNC(=O)c1ccc(C(C)(C)C)cc1 |
| InChI | InChI=1S/C15H20O.2C13H19NO.C13H18O.C12H17NO.C12H18O2S.C11H13F3.C11H14N4.2C11H17NO2S.3C11H15NO.C11H13N.C11H16O2S.C10H13Cl.C10H15NO2S.C9H13NO/c1-15(2,3)13-6-4-5-12(10-13)14(16)9-11-7-8-11;1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)5;1-13(2,3)11-8-6-7-10(9-11)12(15)14(4)5;1-5-12(14)10-7-6-8-11(9-10)13(2,3)4;1-12(2,3)10-7-5-9(6-8-10)11(14)13-4;1-12(2,3)11-8-6-5-7-10(11)9-15(4,13)14;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)9-6-4-8(5-7-9)10-12-14-15-13-10;1-11(2,3)9-5-7-10(8-6-9)12-15(4,13)14;1-11(2,3)9-6-5-7-10(8-9)12-15(4,13)14;2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-11(2,3)10-6-4-5-9(7-10)8-12;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-9(2,3)11-8-4-6-10-7-5-8/h4-6,10-11H,7-9H2,1-3H3;2*6-9H,1-5H3;6-9H,5H2,1-4H3;5-8H,1-4H3,(H,13,14);5-8H,9H2,1-4H3;4-7H,1-3H3;4-7H,1-3H3,(H,12,13,14,15);2*5-8,12H,1-4H3;3*4-7H,1-3H3,(H2,12,13);4-7H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3,(H2,11,12,13);4-7H,1-3H3 |
| InChIKey | VGZUGIGNKNNZDH-UHFFFAOYSA-N |
| XLogP | 47.69 |
| TPSA | 554.28 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 249 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3530.43 |
| LogP ≤ 5 | 47.69 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 24 |