1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate

C156H209N15O9S — CID 159873161

About 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate

1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate (PubChem CID 159873161) has the molecular formula C156H209N15O9S and a molecular weight of 2470.55 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;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate.

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;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate
• PubChem CID: 159873161
• Molecular Formula: C156H209N15O9S
• Molecular Weight: 2470.55 g/mol
• Exact Mass: 2468.61
• IUPAC Name: 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate
• SMILES: C.CC(C)(C)c1cc2ccccc2n1CCc1ccccc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.CN1C(=O)C(C)(C)c2ccc(C(C)(C)C)cc21.CN1CCN(c2ccc(C(C)(C)C)cn2)CC1.COC(=O)c1ccc2cc(C(C)C)n(C)c2c1.COc1ccc(C(C)C)cn1.Cc1c(C(C)(C)C)cnn1C(C)c1ccccc1.Cc1cc(C(C)C)nn1Cc1ccccc1
• InChI: InChI=1S/C20H23N.C17H17NO2S.C16H22N2.C15H21NO.C14H23N3.C14H18N2.C14H17NO2.C12H20N2O.C12H15NO.C12H16O.C9H13NO.CH4/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(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;1-14(2,3)12-5-6-13(15-11-12)17-9-7-16(4)8-10-17;1-11(2)14-9-12(3)16(15-14)10-13-7-5-4-6-8-13;1-9(2)12-7-10-5-6-11(14(16)17-4)8-13(10)15(12)3;1-8(2)15-10-6-9(12(3,4)5)7-14-11(10)13;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-7(2)8-4-5-9(11-3)10-6-8;/h4-12,15H,13-14H2,1-3H3;3-13H,1-2H3;6-12H,1-5H3;7-9H,1-6H3;5-6,11H,7-10H2,1-4H3;4-9,11H,10H2,1-3H3;5-9H,1-4H3;6-8H,1-5H3,(H2,13,14);4-5,7H,6H2,1-3H3,(H,13,14);4-5,8H,6-7H2,1-3H3;4-7H,1-3H3;1H4
• InChIKey: NSOISRKZHTVNFN-UHFFFAOYSA-N
• XLogP: 36.10
• TPSA: 259.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2470.55
LogP ≤ 5	36.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

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;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate?

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;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate (CID 159873161) is 1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate.

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;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate?

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;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate is C.CC(C)(C)c1cc2ccccc2n1CCc1ccccc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.CN1C(=O)C(C)(C)c2ccc(C(C)(C)C)cc21.CN1CCN(c2ccc(C(C)(C)C)cn2)CC1.COC(=O)c1ccc2cc(C(C)C)n(C)c2c1.COc1ccc(C(C)C)cn1.Cc1c(C(C)(C)C)cnn1C(C)c1ccccc1.Cc1cc(C(C)C)nn1Cc1ccccc1.

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;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate?

The InChIKey is NSOISRKZHTVNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N.C17H17NO2S.C16H22N2.C15H21NO.C14H23N3.C14H18N2.C14H17NO2.C12H20N2O.C12H15NO.C12H16O.C9H13NO.CH4/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(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;1-14(2,3)12-5-6-13(15-11-12)17-9-7-16(4)8-10-17;1-11(2)14-9-12(3)16(15-14)10-13-7-5-4-6-8-13;1-9(2)12-7-10-5-6-11(14(16)17-4)8-13(10)15(12)3;1-8(2)15-10-6-9(12(3,4)5)7-14-11(10)13;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-7(2)8-4-5-9(11-3)10-6-8;/h4-12,15H,13-14H2,1-3H3;3-13H,1-2H3;6-12H,1-5H3;7-9H,1-6H3;5-6,11H,7-10H2,1-4H3;4-9,11H,10H2,1-3H3;5-9H,1-4H3;6-8H,1-5H3,(H2,13,14);4-5,7H,6H2,1-3H3,(H,13,14);4-5,8H,6-7H2,1-3H3;4-7H,1-3H3;1H4.

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;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate?

1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate has a molecular weight of 2470.55 g/mol, XLogP of 36.10, 18 rotatable bonds, 2 hydrogen bond donors, and 22 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;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;6-tert-butyl-1,3,3-trimethylindol-2-one;methane;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate is sourced from PubChem (CID 159873161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).