1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene

C200H291FN16O12S3 — CID 161496606

About 1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene

1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene (PubChem CID 161496606) has the molecular formula C200H291FN16O12S3 and a molecular weight of 3226.83 g/mol. Its IUPAC name is 1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene.

Molecular Properties

• Compound Name: 1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene
• PubChem CID: 161496606
• Molecular Formula: C200H291FN16O12S3
• Molecular Weight: 3226.83 g/mol
• Exact Mass: 3224.18
• IUPAC Name: 1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene
• SMILES: CC(C)(C)C(=O)N[C@@H]1CCOc2ccccc21.CC(C)(C)C=Cc1ccccc1S(N)(=O)=O.CC(C)(C)c1cc2ccccc2n1S(=O)(=O)Cc1ccccc1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cnn(S(C)(=O)=O)c1.CC(C)/C=C/C1CCCCC1.CC(C)OCc1ccccc1.CC(C)c1cccc(C(C)C)c1.CCCc1c(C(C)C)n(C)c2ccccc12.CC[C@@H](NC(=O)C(C)(C)C)c1ccccc1.COc1ccc(F)cc1C(C)C.Cc1c(C(C)C)cnn1C(C)C.Cc1c(C(C)C)n(C)c2ccccc12.Cc1c(C(C)C)n(C)c2ccccc12.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)C)o1.Cn1nc(C(C)(C)C)c2c1CCCC2
• InChI: InChI=1S/C19H21NO2S.C15H21N.C14H19NO2.C14H21NO.2C13H17N.C12H20N2.C12H17NO2S.C12H18.C11H20.C10H13FO.C10H18N2.C10H15N.C10H14O.C9H14N2.C8H14N2O2S.C8H12O/c1-19(2,3)18-13-16-11-7-8-12-17(16)20(18)23(21,22)14-15-9-5-4-6-10-15;1-5-8-13-12-9-6-7-10-14(12)16(4)15(13)11(2)3;1-14(2,3)13(16)15-11-8-9-17-12-7-5-4-6-10(11)12;1-5-12(11-9-7-6-8-10-11)15-13(16)14(2,3)4;2*1-9(2)13-10(3)11-7-5-6-8-12(11)14(13)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)9-8-10-6-4-5-7-11(10)16(13,14)15;1-9(2)11-6-5-7-12(8-11)10(3)4;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)10-6-11-12(8(3)4)9(10)5;1-8-7-9(5-6-11-8)10(2,3)4;1-9(2)11-8-10-6-4-3-5-7-10;1-9(2,3)7-4-5-8(10)11-6-7;1-8(2,3)7-5-9-10(6-7)13(4,11)12;1-6(2)8-5-4-7(3)9-8/h4-13H,14H2,1-3H3;6-7,9-11H,5,8H2,1-4H3;4-7,11H,8-9H2,1-3H3,(H,15,16);6-10,12H,5H2,1-4H3,(H,15,16);2*5-9H,1-4H3;5-8H2,1-4H3;4-9H,1-3H3,(H2,13,14,15);5-10H,1-4H3;8-11H,3-7H2,1-2H3;4-7H,1-3H3;6-8H,1-5H3;5-7H,1-4H3;3-7,9H,8H2,1-2H3;4-6H,1-3H3,(H2,10,11);5-6H,1-4H3;4-6H,1-3H3/b;;;;;;;;;9-8+;;;;;;;/t;;11-;12-;;;;;;;;;;;;;/m..11............./s1
• InChIKey: WGHFTZGWDNMASQ-SQSGMAMFSA-N
• XLogP: 51.28
• TPSA: 352.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3226.83
LogP ≤ 5	51.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene?

The IUPAC name of 1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene (CID 161496606) is 1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene.

What is the SMILES notation for 1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene?

The canonical SMILES for 1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene is CC(C)(C)C(=O)N[C@@H]1CCOc2ccccc21.CC(C)(C)C=Cc1ccccc1S(N)(=O)=O.CC(C)(C)c1cc2ccccc2n1S(=O)(=O)Cc1ccccc1.CC(C)(C)c1ccc(N)nc1.CC(C)(C)c1cnn(S(C)(=O)=O)c1.CC(C)/C=C/C1CCCCC1.CC(C)OCc1ccccc1.CC(C)c1cccc(C(C)C)c1.CCCc1c(C(C)C)n(C)c2ccccc12.CC[C@@H](NC(=O)C(C)(C)C)c1ccccc1.COc1ccc(F)cc1C(C)C.Cc1c(C(C)C)cnn1C(C)C.Cc1c(C(C)C)n(C)c2ccccc12.Cc1c(C(C)C)n(C)c2ccccc12.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)C)o1.Cn1nc(C(C)(C)C)c2c1CCCC2.

What is the InChIKey of 1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene?

The InChIKey is WGHFTZGWDNMASQ-SQSGMAMFSA-N. The full InChI is InChI=1S/C19H21NO2S.C15H21N.C14H19NO2.C14H21NO.2C13H17N.C12H20N2.C12H17NO2S.C12H18.C11H20.C10H13FO.C10H18N2.C10H15N.C10H14O.C9H14N2.C8H14N2O2S.C8H12O/c1-19(2,3)18-13-16-11-7-8-12-17(16)20(18)23(21,22)14-15-9-5-4-6-10-15;1-5-8-13-12-9-6-7-10-14(12)16(4)15(13)11(2)3;1-14(2,3)13(16)15-11-8-9-17-12-7-5-4-6-10(11)12;1-5-12(11-9-7-6-8-10-11)15-13(16)14(2,3)4;2*1-9(2)13-10(3)11-7-5-6-8-12(11)14(13)4;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)9-8-10-6-4-5-7-11(10)16(13,14)15;1-9(2)11-6-5-7-12(8-11)10(3)4;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)10-6-11-12(8(3)4)9(10)5;1-8-7-9(5-6-11-8)10(2,3)4;1-9(2)11-8-10-6-4-3-5-7-10;1-9(2,3)7-4-5-8(10)11-6-7;1-8(2,3)7-5-9-10(6-7)13(4,11)12;1-6(2)8-5-4-7(3)9-8/h4-13H,14H2,1-3H3;6-7,9-11H,5,8H2,1-4H3;4-7,11H,8-9H2,1-3H3,(H,15,16);6-10,12H,5H2,1-4H3,(H,15,16);2*5-9H,1-4H3;5-8H2,1-4H3;4-9H,1-3H3,(H2,13,14,15);5-10H,1-4H3;8-11H,3-7H2,1-2H3;4-7H,1-3H3;6-8H,1-5H3;5-7H,1-4H3;3-7,9H,8H2,1-2H3;4-6H,1-3H3,(H2,10,11);5-6H,1-4H3;4-6H,1-3H3/b;;;;;;;;;9-8+;;;;;;;/t;;11-;12-;;;;;;;;;;;;;/m..11............./s1.

What are the key properties of 1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene?

1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene has a molecular weight of 3226.83 g/mol, XLogP of 51.28, 27 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene is sourced from PubChem (CID 161496606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).