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

C150H203N9O11S3 — CID 158911925

About 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

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 (PubChem CID 158911925) has the molecular formula C150H203N9O11S3 and a molecular weight of 2404.53 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158911925
• Molecular Formula: C150H203N9O11S3
• Molecular Weight: 2404.53 g/mol
• Exact Mass: 2402.48
• IUPAC Name: 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
• SMILES: C=C(c1ccc(OC)cc1)C(C)(C)C.CC(C)/C=C/c1ccccc1S(N)(=O)=O.CC(C)/C=C/c1cccnc1.CC(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.CC(C)c1ccc(C(=O)NC2CC2)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)c1cccc(CCC(=O)OC(C)(C)C)c1.CCC(=O)c1ccc(C(C)C)cc1.Cc1c(C(C)(C)C)[nH]c2ccccc12.Cc1cc2c(cnn2C)cc1C(C)C
• InChI: InChI=1S/C17H17NO2S.C16H24O2.C13H17NO.C13H17N.C13H18O.C12H16N2.C12H16O.C12H18.C11H15NO2S.C11H17N.C10H15NO2S.C10H13N/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(2)14-8-6-7-13(11-14)9-10-15(17)18-16(3,4)5;1-9(2)10-3-5-11(6-4-10)13(15)14-12-7-8-12;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-10(13(2,3)4)11-6-8-12(14-5)9-7-11;1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3;1-4-12(13)11-7-5-10(6-8-11)9(2)3;1-9(2)11-5-7-12(8-6-11)10(3)4;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)9-4-6-10(7-5-9)11-14(3,12)13;1-9(2)5-6-10-4-3-7-11-8-10/h3-13H,1-2H3;6-8,11-12H,9-10H2,1-5H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);5-8,14H,1-4H3;6-9H,1H2,2-5H3;5-8H,1-4H3;5-9H,4H2,1-3H3;5-10H,1-4H3;3-9H,1-2H3,(H2,12,13,14);5-9H,1-4H3;4-8,11H,1-3H3;3-9H,1-2H3/b;;;;;;;;8-7+;;;6-5+
• InChIKey: JGTIFJPTZGXJMD-ZFTVAGRYSA-N
• XLogP: 38.47
• TPSA: 276.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2404.53
LogP ≤ 5	38.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

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;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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=C(c1ccc(OC)cc1)C(C)(C)C.CC(C)/C=C/c1ccccc1S(N)(=O)=O.CC(C)/C=C/c1cccnc1.CC(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.CC(C)c1ccc(C(=O)NC2CC2)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)c1cccc(CCC(=O)OC(C)(C)C)c1.CCC(=O)c1ccc(C(C)C)cc1.Cc1c(C(C)(C)C)[nH]c2ccccc12.Cc1cc2c(cnn2C)cc1C(C)C.

What is the InChIKey of 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?

The InChIKey is JGTIFJPTZGXJMD-ZFTVAGRYSA-N. The full InChI is InChI=1S/C17H17NO2S.C16H24O2.C13H17NO.C13H17N.C13H18O.C12H16N2.C12H16O.C12H18.C11H15NO2S.C11H17N.C10H15NO2S.C10H13N/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(2)14-8-6-7-13(11-14)9-10-15(17)18-16(3,4)5;1-9(2)10-3-5-11(6-4-10)13(15)14-12-7-8-12;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-10(13(2,3)4)11-6-8-12(14-5)9-7-11;1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3;1-4-12(13)11-7-5-10(6-8-11)9(2)3;1-9(2)11-5-7-12(8-6-11)10(3)4;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)9-4-6-10(7-5-9)11-14(3,12)13;1-9(2)5-6-10-4-3-7-11-8-10/h3-13H,1-2H3;6-8,11-12H,9-10H2,1-5H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);5-8,14H,1-4H3;6-9H,1H2,2-5H3;5-8H,1-4H3;5-9H,4H2,1-3H3;5-10H,1-4H3;3-9H,1-2H3,(H2,12,13,14);5-9H,1-4H3;4-8,11H,1-3H3;3-9H,1-2H3/b;;;;;;;;8-7+;;;6-5+.

What are the key properties of 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?

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 has a molecular weight of 2404.53 g/mol, XLogP of 38.47, 28 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158911925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).