1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one
C196H258FN15O14S3 — CID 162147621
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one
SMILESC=C(c1ccc(OC)cc1)C(C)(C)C.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)/C=C/c1ccccc1S(N)(=O)=O.CC(C)/C=C/c1cnn(C)c1.CC(C)C(=O)Cc1nccc2ccccc12.CC(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1cccc(S(N)(=O)=O)c1.CN1C(=O)C(C)(C)c2ccc(C(C)(C)C)cc21.CNC(=O)c1cccc(C(C)C)c1.COCc1cccc(C(C)C)c1.Cc1c(C(C)(C)C)cnn1C(C)c1ccccc1.Cc1cc(C(C)C)nn1Cc1ccccc1.Cc1ccc(C(C)C)cc1F
InChIInChI=1S/C17H17NO2S.C16H22N2.C15H21NO.C14H18N2.C14H15NO.C13H18O.C12H15NO.C12H16O.C11H15NO2S.C11H13NO.C11H15NO.C11H17N.C11H16O.C10H13F.C9H14N2.C9H13NO2S/c1-13(2)17-12-14-8-6-7-11-16(14)18(17)21(19,20)15-9-4-3-5-10-15;1-12(14-9-7-6-8-10-14)18-13(2)15(11-17-18)16(3,4)5;1-14(2,3)10-7-8-11-12(9-10)16(6)13(17)15(11,4)5;1-11(2)14-9-12(3)16(15-14)10-13-7-5-4-6-8-13;1-10(2)14(16)9-13-12-6-4-3-5-11(12)7-8-15-13;1-10(13(2,3)4)11-6-8-12(14-5)9-7-11;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(2)7-8-10-5-3-4-6-11(10)15(12,13)14;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-9(2)10-5-7-11(8-6-10)12(3)4;1-9(2)11-6-4-5-10(7-11)8-12-3;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)4-5-9-6-10-11(3)7-9;1-7(2)8-4-3-5-9(6-8)13(10,11)12/h3-13H,1-2H3;6-12H,1-5H3;7-9H,1-6H3;4-9,11H,10H2,1-3H3;3-8,10H,9H2,1-2H3;6-9H,1H2,2-5H3;4-6H,7H2,1-3H3,(H,13,14);4-5,8H,6-7H2,1-3H3;3-9H,1-2H3,(H2,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13);4-8H,1-3H3,(H,12,13);5-9H,1-4H3;4-7,9H,8H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H2,10,11,12)/b;;;;;;;;8-7+;;;;;;5-4+;
InChIKeyZKTUMVUCUWEEPB-LGQFMVLOSA-N
MW3163.51 g/mol
LogP45.97
Rot. Bonds29
About 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one
1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one (PubChem CID 162147621) has the molecular formula C196H258FN15O14S3 and a molecular weight of 3163.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one.
Molecular Properties
| Compound Name | 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one |
|---|---|
| PubChem CID | 162147621 |
| Molecular Formula | C196H258FN15O14S3 |
| Molecular Weight | 3163.51 g/mol |
| Exact Mass | 3160.91 |
| IUPAC Name | 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one |
| SMILES | C=C(c1ccc(OC)cc1)C(C)(C)C.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)/C=C/c1ccccc1S(N)(=O)=O.CC(C)/C=C/c1cnn(C)c1.CC(C)C(=O)Cc1nccc2ccccc12.CC(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1cccc(S(N)(=O)=O)c1.CN1C(=O)C(C)(C)c2ccc(C(C)(C)C)cc21.CNC(=O)c1cccc(C(C)C)c1.COCc1cccc(C(C)C)c1.Cc1c(C(C)(C)C)cnn1C(C)c1ccccc1.Cc1cc(C(C)C)nn1Cc1ccccc1.Cc1ccc(C(C)C)cc1F |
| InChI | InChI=1S/C17H17NO2S.C16H22N2.C15H21NO.C14H18N2.C14H15NO.C13H18O.C12H15NO.C12H16O.C11H15NO2S.C11H13NO.C11H15NO.C11H17N.C11H16O.C10H13F.C9H14N2.C9H13NO2S/c1-13(2)17-12-14-8-6-7-11-16(14)18(17)21(19,20)15-9-4-3-5-10-15;1-12(14-9-7-6-8-10-14)18-13(2)15(11-17-18)16(3,4)5;1-14(2,3)10-7-8-11-12(9-10)16(6)13(17)15(11,4)5;1-11(2)14-9-12(3)16(15-14)10-13-7-5-4-6-8-13;1-10(2)14(16)9-13-12-6-4-3-5-11(12)7-8-15-13;1-10(13(2,3)4)11-6-8-12(14-5)9-7-11;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(2)7-8-10-5-3-4-6-11(10)15(12,13)14;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-9(2)10-5-7-11(8-6-10)12(3)4;1-9(2)11-6-4-5-10(7-11)8-12-3;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)4-5-9-6-10-11(3)7-9;1-7(2)8-4-3-5-9(6-8)13(10,11)12/h3-13H,1-2H3;6-12H,1-5H3;7-9H,1-6H3;4-9,11H,10H2,1-3H3;3-8,10H,9H2,1-2H3;6-9H,1H2,2-5H3;4-6H,7H2,1-3H3,(H,13,14);4-5,8H,6-7H2,1-3H3;3-9H,1-2H3,(H2,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13);4-8H,1-3H3,(H,12,13);5-9H,1-4H3;4-7,9H,8H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H2,10,11,12)/b;;;;;;;;8-7+;;;;;;5-4+; |
| InChIKey | ZKTUMVUCUWEEPB-LGQFMVLOSA-N |
| XLogP | 45.97 |
| TPSA | 381.35 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 229 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3163.51 |
| LogP ≤ 5 | 45.97 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 23 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one?
The IUPAC name of 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one (CID 162147621) is 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one is C=C(c1ccc(OC)cc1)C(C)(C)C.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)/C=C/c1ccccc1S(N)(=O)=O.CC(C)/C=C/c1cnn(C)c1.CC(C)C(=O)Cc1nccc2ccccc12.CC(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1cccc(S(N)(=O)=O)c1.CN1C(=O)C(C)(C)c2ccc(C(C)(C)C)cc21.CNC(=O)c1cccc(C(C)C)c1.COCc1cccc(C(C)C)c1.Cc1c(C(C)(C)C)cnn1C(C)c1ccccc1.Cc1cc(C(C)C)nn1Cc1ccccc1.Cc1ccc(C(C)C)cc1F.
What is the InChIKey of 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one?
The InChIKey is ZKTUMVUCUWEEPB-LGQFMVLOSA-N. The full InChI is InChI=1S/C17H17NO2S.C16H22N2.C15H21NO.C14H18N2.C14H15NO.C13H18O.C12H15NO.C12H16O.C11H15NO2S.C11H13NO.C11H15NO.C11H17N.C11H16O.C10H13F.C9H14N2.C9H13NO2S/c1-13(2)17-12-14-8-6-7-11-16(14)18(17)21(19,20)15-9-4-3-5-10-15;1-12(14-9-7-6-8-10-14)18-13(2)15(11-17-18)16(3,4)5;1-14(2,3)10-7-8-11-12(9-10)16(6)13(17)15(11,4)5;1-11(2)14-9-12(3)16(15-14)10-13-7-5-4-6-8-13;1-10(2)14(16)9-13-12-6-4-3-5-11(12)7-8-15-13;1-10(13(2,3)4)11-6-8-12(14-5)9-7-11;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(2)7-8-10-5-3-4-6-11(10)15(12,13)14;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-9(2)10-5-7-11(8-6-10)12(3)4;1-9(2)11-6-4-5-10(7-11)8-12-3;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)4-5-9-6-10-11(3)7-9;1-7(2)8-4-3-5-9(6-8)13(10,11)12/h3-13H,1-2H3;6-12H,1-5H3;7-9H,1-6H3;4-9,11H,10H2,1-3H3;3-8,10H,9H2,1-2H3;6-9H,1H2,2-5H3;4-6H,7H2,1-3H3,(H,13,14);4-5,8H,6-7H2,1-3H3;3-9H,1-2H3,(H2,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13);4-8H,1-3H3,(H,12,13);5-9H,1-4H3;4-7,9H,8H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H2,10,11,12)/b;;;;;;;;8-7+;;;;;;5-4+;.
What are the key properties of 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one?
1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one has a molecular weight of 3163.51 g/mol, XLogP of 45.97, 29 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 162147621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 162147621 — identifiers, structure, computed properties (public domain)
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