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

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 Name1-(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 CID162147621
Molecular FormulaC196H258FN15O14S3
Molecular Weight3163.51 g/mol
Exact Mass3160.91
IUPAC Name1-(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
XLogP45.97
TPSA381.35 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003163.51
LogP ≤ 545.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

(2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)propanamide;2-[1-benzofuran-5-ylsulfonyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl-[2-(3-methylpyrazol-1-yl)ethyl]amino]-N,N-bis(2-methylpropyl)acetamide;2-[1-benzofuran-5-ylsulfonyl(pyridin-2-ylmethyl)amino]-N,N-bis(2-methylpropyl)acetamide
CID 157413916
(5R)-5-[4-[1-(benzenesulfonyl)indol-5-yl]phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[[5-(cyclopropylmethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-indol-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 157744195
5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;1,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one
CID 158413846
benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;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-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene
CID 158656464
N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one
CID 158686242
5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;1,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one
CID 158753443
N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine
CID 158795512
2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N-ethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;(2S,5S)-N,1-dibenzyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S)-1-(5-fluoroquinolin-4-yl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone
CID 158822474
tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 158847614
1-(benzenesulfonyl)-2-propan-2-ylindole;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;1,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;3-[(E)-3-methylbut-1-enyl]pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one
CID 158911925
1-(benzenesulfonyl)-2-propan-2-ylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;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;1-isoquinolin-1-yl-3-methylbutan-2-one;2-methoxy-5-propan-2-ylpyridine;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;[(Z)-4-methylpent-2-en-2-yl]benzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 159042742
1-benzyl-5-methyl-3-propan-2-ylpyrazole;3-benzyl-1-methyl-4-propan-2-ylpyrazole;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 159721964

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).