5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one

C173H241N11O13S3 — CID 158753443

About 5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one

5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one (PubChem CID 158753443) has the molecular formula C173H241N11O13S3 and a molecular weight of 2779.10 g/mol. Its IUPAC name is 5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one.

Molecular Properties

• Compound Name: 5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one
• PubChem CID: 158753443
• Molecular Formula: C173H241N11O13S3
• Molecular Weight: 2779.10 g/mol
• Exact Mass: 2776.77
• IUPAC Name: 5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one
• SMILES: CC(C)(C)C=Cc1ccccc1S(=O)(=O)NC(C)(C)C.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)/C=C/c1ccccc1S(N)(=O)=O.CC(C)/C=C/c1cccnc1.CC(C)c1ccc(C(=O)NC2CC2)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)CC(=O)N2C.CC(C)c1ccc2c(c1)CCN2C.CC(C)c1cccc(CCC(=O)OC(C)(C)C)c1.CCC(=O)c1ccc(C(C)C)cc1.COCc1ccc(C(C)(C)C)cc1.Cc1c(C(C)(C)C)[nH]c2ccccc12.Cc1cc2c(cnn2C)cc1C(C)C
• InChI: InChI=1S/C16H25NO2S.C16H24O2.C13H17NO.C13H17N.C12H16N2.2C12H15NO.C12H17N.C12H18O.C12H16O.C12H18.C11H15NO2S.C10H15NO2S.C10H13N/c1-15(2,3)12-11-13-9-7-8-10-14(13)20(18,19)17-16(4,5)6;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;1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-8(2)9-4-5-11-10(6-9)7-12(14)13(11)3;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-12(2,3)11-7-5-10(6-8-11)9-13-4;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;1-8(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/h7-12,17H,1-6H3;6-8,11-12H,9-10H2,1-5H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);5-8,14H,1-4H3;5-8H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-6,8H,7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;5-8H,9H2,1-4H3;5-9H,4H2,1-3H3;5-10H,1-4H3;3-9H,1-2H3,(H2,12,13,14);4-8,11H,1-3H3;3-9H,1-2H3/b;;;;;;;;;;;8-7+;;6-5+
• InChIKey: INTNUVDYMNDJSX-IFCCTXPYSA-N
• XLogP: 42.40
• TPSA: 333.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2779.10
LogP ≤ 5	42.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one?

The IUPAC name of 5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one (CID 158753443) is 5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one.

What is the SMILES notation for 5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one?

The canonical SMILES for 5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one is CC(C)(C)C=Cc1ccccc1S(=O)(=O)NC(C)(C)C.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)/C=C/c1ccccc1S(N)(=O)=O.CC(C)/C=C/c1cccnc1.CC(C)c1ccc(C(=O)NC2CC2)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)CC(=O)N2C.CC(C)c1ccc2c(c1)CCN2C.CC(C)c1cccc(CCC(=O)OC(C)(C)C)c1.CCC(=O)c1ccc(C(C)C)cc1.COCc1ccc(C(C)(C)C)cc1.Cc1c(C(C)(C)C)[nH]c2ccccc12.Cc1cc2c(cnn2C)cc1C(C)C.

What is the InChIKey of 5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one?

The InChIKey is INTNUVDYMNDJSX-IFCCTXPYSA-N. The full InChI is InChI=1S/C16H25NO2S.C16H24O2.C13H17NO.C13H17N.C12H16N2.2C12H15NO.C12H17N.C12H18O.C12H16O.C12H18.C11H15NO2S.C10H15NO2S.C10H13N/c1-15(2,3)12-11-13-9-7-8-10-14(13)20(18,19)17-16(4,5)6;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;1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-8(2)9-4-5-11-10(6-9)7-12(14)13(11)3;1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-12(2,3)11-7-5-10(6-8-11)9-13-4;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;1-8(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/h7-12,17H,1-6H3;6-8,11-12H,9-10H2,1-5H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);5-8,14H,1-4H3;5-8H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-6,8H,7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;5-8H,9H2,1-4H3;5-9H,4H2,1-3H3;5-10H,1-4H3;3-9H,1-2H3,(H2,12,13,14);4-8,11H,1-3H3;3-9H,1-2H3/b;;;;;;;;;;;8-7+;;6-5+.

What are the key properties of 5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one?

5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one has a molecular weight of 2779.10 g/mol, XLogP of 42.40, 28 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;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;1-methyl-5-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 158753443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).