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

C159H212N12O9S — CID 159042742

About 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

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 (PubChem CID 159042742) has the molecular formula C159H212N12O9S and a molecular weight of 2467.59 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159042742
• Molecular Formula: C159H212N12O9S
• Molecular Weight: 2467.59 g/mol
• Exact Mass: 2465.62
• IUPAC Name: 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
• 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/c1cnn(C)c1.CC(C)C(=O)Cc1nccc2ccccc12.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.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.COc1ccc(C(C)C)cn1
• InChI: InChI=1S/C20H23N.C17H17NO2S.C15H22N2O.C15H21NO.C14H15NO.C13H18O.C12H20N2O.C12H16O.C12H16.C11H17N.C9H14N2.C9H13NO/c1-20(2,3)19-15-17-11-7-8-12-18(17)21(19)14-13-16-9-5-4-6-10-16;1-13(2)17-12-14-8-6-7-11-16(14)18(17)21(19,20)15-9-4-3-5-10-15;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;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;1-10(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)10-5-7-11(8-6-10)12(3)4;1-8(2)4-5-9-6-10-11(3)7-9;1-7(2)8-4-5-9(11-3)10-6-8/h4-12,15H,13-14H2,1-3H3;3-13H,1-2H3;4-7,12H,8-11H2,1-3H3;7-9H,1-6H3;3-8,10H,9H2,1-2H3;6-9H,1H2,2-5H3;6-8H,1-5H3,(H2,13,14);4-5,8H,6-7H2,1-3H3;4-10H,1-3H3;5-9H,1-4H3;4-8H,1-3H3;4-7H,1-3H3/b;;;;;;;;11-9-;;5-4+
• InChIKey: JWGRHHQBPMFBCC-QRNYJYPWSA-N
• XLogP: 37.97
• TPSA: 227.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2467.59
LogP ≤ 5	37.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

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;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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 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/c1cnn(C)c1.CC(C)C(=O)Cc1nccc2ccccc12.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.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.COc1ccc(C(C)C)cn1.

What is the InChIKey of 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?

The InChIKey is JWGRHHQBPMFBCC-QRNYJYPWSA-N. The full InChI is InChI=1S/C20H23N.C17H17NO2S.C15H22N2O.C15H21NO.C14H15NO.C13H18O.C12H20N2O.C12H16O.C12H16.C11H17N.C9H14N2.C9H13NO/c1-20(2,3)19-15-17-11-7-8-12-18(17)21(19)14-13-16-9-5-4-6-10-16;1-13(2)17-12-14-8-6-7-11-16(14)18(17)21(19,20)15-9-4-3-5-10-15;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;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;1-10(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)10-5-7-11(8-6-10)12(3)4;1-8(2)4-5-9-6-10-11(3)7-9;1-7(2)8-4-5-9(11-3)10-6-8/h4-12,15H,13-14H2,1-3H3;3-13H,1-2H3;4-7,12H,8-11H2,1-3H3;7-9H,1-6H3;3-8,10H,9H2,1-2H3;6-9H,1H2,2-5H3;6-8H,1-5H3,(H2,13,14);4-5,8H,6-7H2,1-3H3;4-10H,1-3H3;5-9H,1-4H3;4-8H,1-3H3;4-7H,1-3H3/b;;;;;;;;11-9-;;5-4+;.

What are the key properties of 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?

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 has a molecular weight of 2467.59 g/mol, XLogP of 37.97, 23 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159042742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).