1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine

C207H283N15O15S2 — CID 161106203

About 1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine

1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine (PubChem CID 161106203) has the molecular formula C207H283N15O15S2 and a molecular weight of 3285.76 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine
• PubChem CID: 161106203
• Molecular Formula: C207H283N15O15S2
• Molecular Weight: 3285.76 g/mol
• Exact Mass: 3283.13
• IUPAC Name: 1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine
• SMILES: C/C(=C/C(C)C)c1ccccc1.C=C(c1ccc(OC)cc1)C(C)(C)C.CC(C)(C)c1cc2ccccc2n1CCc1ccccc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)/C=C/c1ccccc1S(N)(=O)=O.CC(C)C(=O)Cc1nccc2ccccc12.CC(C)C(=O)Nc1ccccc1.CC(C)COC(C)C.CC(C)OCc1cccnc1.CC(C)OCc1ccncc1.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(N(C)C)cc1.CN1C(=O)C(C)(C)c2ccc(C(C)(C)C)cc21.CN1CCc2cc(C(C)(C)C)ccc21.COc1ccc(C(C)C)cn1.Cc1cc2ccccc2n1S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C20H23N.C15H22N2O.C15H13NO2S.C15H21NO.C14H15NO.C13H19N.C13H18O.C12H20N2O.C12H16O.C12H16.C11H15NO2S.C11H17N.C10H13NO.3C9H13NO.C7H16O/c1-20(2,3)19-15-17-11-7-8-12-18(17)21(19)14-13-16-9-5-4-6-10-16;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-12-11-13-7-5-6-10-15(13)16(12)19(17,18)14-8-3-2-4-9-14;1-14(2,3)10-7-8-11-12(9-10)16(6)13(17)15(11,4)5;1-10(2)14(16)9-13-12-6-4-3-5-11(12)7-8-15-13;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-10(13(2,3)4)11-6-8-12(14-5)9-7-11;1-8(2)15-10-6-9(12(3,4)5)7-14-11(10)13;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(2)9-11(3)12-7-5-4-6-8-12;1-9(2)7-8-10-5-3-4-6-11(10)15(12,13)14;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10(12)11-9-6-4-3-5-7-9;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)11-7-9-3-5-10-6-4-9;1-8(2)11-7-9-4-3-5-10-6-9;1-6(2)5-8-7(3)4/h4-12,15H,13-14H2,1-3H3;4-7,12H,8-11H2,1-3H3;2-11H,1H3;7-9H,1-6H3;3-8,10H,9H2,1-2H3;5-6,9H,7-8H2,1-4H3;6-9H,1H2,2-5H3;6-8H,1-5H3,(H2,13,14);4-5,8H,6-7H2,1-3H3;4-10H,1-3H3;3-9H,1-2H3,(H2,12,13,14);5-9H,1-4H3;3-8H,1-2H3,(H,11,12);4-7H,1-3H3;2*3-6,8H,7H2,1-2H3;6-7H,5H2,1-4H3/b;;;;;;;;;11-9-;8-7+
• InChIKey: UJBVEDNZSWSOQN-DJYOLDFYSA-N
• XLogP: 48.41
• TPSA: 355.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 34
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3285.76
LogP ≤ 5	48.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

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-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine?

The IUPAC name of 1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine (CID 161106203) is 1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine.

What is the SMILES notation for 1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine?

The canonical SMILES for 1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine is C/C(=C/C(C)C)c1ccccc1.C=C(c1ccc(OC)cc1)C(C)(C)C.CC(C)(C)c1cc2ccccc2n1CCc1ccccc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)/C=C/c1ccccc1S(N)(=O)=O.CC(C)C(=O)Cc1nccc2ccccc12.CC(C)C(=O)Nc1ccccc1.CC(C)COC(C)C.CC(C)OCc1cccnc1.CC(C)OCc1ccncc1.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(N(C)C)cc1.CN1C(=O)C(C)(C)c2ccc(C(C)(C)C)cc21.CN1CCc2cc(C(C)(C)C)ccc21.COc1ccc(C(C)C)cn1.Cc1cc2ccccc2n1S(=O)(=O)c1ccccc1.

What is the InChIKey of 1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine?

The InChIKey is UJBVEDNZSWSOQN-DJYOLDFYSA-N. The full InChI is InChI=1S/C20H23N.C15H22N2O.C15H13NO2S.C15H21NO.C14H15NO.C13H19N.C13H18O.C12H20N2O.C12H16O.C12H16.C11H15NO2S.C11H17N.C10H13NO.3C9H13NO.C7H16O/c1-20(2,3)19-15-17-11-7-8-12-18(17)21(19)14-13-16-9-5-4-6-10-16;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-12-11-13-7-5-6-10-15(13)16(12)19(17,18)14-8-3-2-4-9-14;1-14(2,3)10-7-8-11-12(9-10)16(6)13(17)15(11,4)5;1-10(2)14(16)9-13-12-6-4-3-5-11(12)7-8-15-13;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-10(13(2,3)4)11-6-8-12(14-5)9-7-11;1-8(2)15-10-6-9(12(3,4)5)7-14-11(10)13;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(2)9-11(3)12-7-5-4-6-8-12;1-9(2)7-8-10-5-3-4-6-11(10)15(12,13)14;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10(12)11-9-6-4-3-5-7-9;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)11-7-9-3-5-10-6-4-9;1-8(2)11-7-9-4-3-5-10-6-9;1-6(2)5-8-7(3)4/h4-12,15H,13-14H2,1-3H3;4-7,12H,8-11H2,1-3H3;2-11H,1H3;7-9H,1-6H3;3-8,10H,9H2,1-2H3;5-6,9H,7-8H2,1-4H3;6-9H,1H2,2-5H3;6-8H,1-5H3,(H2,13,14);4-5,8H,6-7H2,1-3H3;4-10H,1-3H3;3-9H,1-2H3,(H2,12,13,14);5-9H,1-4H3;3-8H,1-2H3,(H,11,12);4-7H,1-3H3;2*3-6,8H,7H2,1-2H3;6-7H,5H2,1-4H3/b;;;;;;;;;11-9-;8-7+;;;;;;.

What are the key properties of 1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine?

1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine has a molecular weight of 3285.76 g/mol, XLogP of 48.41, 34 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-2-methylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1-methyl-2,3-dihydroindole;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;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-1-propan-2-yloxypropane;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyridine is sourced from PubChem (CID 161106203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).