Benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;1,3-dimethyl-2-propan-2-ylindole;1,3-di(propan-2-yl)benzene;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-pyrrolidin-1-ylmethanone;6-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene;N-(3-propan-2-ylphenyl)methanesulfonamide
C184H257N13O14S2 — CID 159029989
Data last refreshed: (MolForge compound catalog, from PubChem)
About Benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;1,3-dimethyl-2-propan-2-ylindole;1,3-di(propan-2-yl)benzene;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-pyrrolidin-1-ylmethanone;6-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene;N-(3-propan-2-ylphenyl)methanesulfonamide
Benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;1,3-dimethyl-2-propan-2-ylindole;1,3-di(propan-2-yl)benzene;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-pyrrolidin-1-ylmethanone;6-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene;N-(3-propan-2-ylphenyl)methanesulfonamide (PubChem CID 159029989) has the molecular formula C184H257N13O14S2 and a molecular weight of 2939.29 g/mol. Its IUPAC name is benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;1,3-dimethyl-2-propan-2-ylindole;1,3-di(propan-2-yl)benzene;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-pyrrolidin-1-ylmethanone;6-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene;N-(3-propan-2-ylphenyl)methanesulfonamide.
Molecular Properties
| Compound Name | Benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;1,3-dimethyl-2-propan-2-ylindole;1,3-di(propan-2-yl)benzene;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-pyrrolidin-1-ylmethanone;6-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene;N-(3-propan-2-ylphenyl)methanesulfonamide |
|---|---|
| PubChem CID | 159029989 |
| Molecular Formula | C184H257N13O14S2 |
| Molecular Weight | 2939.29 g/mol |
| Exact Mass | 2936.92 |
| IUPAC Name | benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;1,3-dimethyl-2-propan-2-ylindole;1,3-di(propan-2-yl)benzene;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-pyrrolidin-1-ylmethanone;6-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene;N-(3-propan-2-ylphenyl)methanesulfonamide |
| SMILES | CC(C)C(=O)OCc1ccccc1.CC(C)C1=CC=C(C(=O)N2CCCC2)CC1.CC(C)OC(C)c1ccccc1.CC(C)OCc1ccccc1.CC(C)c1cc2ccc(S(C)(=O)=O)cc2n1C.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(NS(C)(=O)=O)c1.CC(C)c1cnn(C2COC2)c1.CCCc1c(C(C)C)n(C)c2ccccc12.CN1C(=O)C(C)(C)c2cc(C(C)(C)C)ccc21.COc1ccccc1C(C)(C)C.Cc1c(C(C)C)n(C)c2ccccc12.Cc1ccc(C(C)C)o1.Cc1cncc(CC(=O)C(C)C)c1 |
| InChI | InChI=1S/C15H21NO.C15H21N.C14H21NO.C13H17NO2S.C13H17N.C12H18.C11H14N2.C11H15NO.C11H14O2.2C11H16O.C10H12N2.C10H15NO2S.C10H14O.C9H14N2O.C8H12O/c1-14(2,3)10-7-8-12-11(9-10)15(4,5)13(17)16(12)6;1-5-8-13-12-9-6-7-10-14(12)16(4)15(13)11(2)3;1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15;1-9(2)12-7-10-5-6-11(17(4,15)16)8-13(10)14(12)3;1-9(2)13-10(3)11-7-5-6-8-12(11)14(13)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)11(13)5-10-4-9(3)6-12-7-10;1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9(2)12-10(3)11-7-5-4-6-8-11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-6(2)8-5-4-7(3)9-8/h7-9H,1-6H3;6-7,9-11H,5,8H2,1-4H3;5,7,11H,3-4,6,8-10H2,1-2H3;5-9H,1-4H3;5-9H,1-4H3;5-10H,1-4H3;4-8H,1-3H3;4,6-8H,5H2,1-3H3;3-7,9H,8H2,1-2H3;5-8H,1-4H3;4-10H,1-3H3;3-8H,1-2H3;4-8,11H,1-3H3;3-7,9H,8H2,1-2H3;3-4,7,9H,5-6H2,1-2H3;4-6H,1-3H3 |
| InChIKey | JUTKWUCXBOWSMP-UHFFFAOYSA-N |
| XLogP | 45.60 |
| TPSA | 294.98 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 213 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2939.29 |
| LogP ≤ 5 | 45.60 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 24 |
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Sources
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