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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one

C164H239N13O11S — CID 158686242

About 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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one (PubChem CID 158686242) has the molecular formula C164H239N13O11S and a molecular weight of 2600.86 g/mol. Its IUPAC name is 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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one.

Molecular Properties

• Compound Name: 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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one
• PubChem CID: 158686242
• Molecular Formula: C164H239N13O11S
• Molecular Weight: 2600.86 g/mol
• Exact Mass: 2598.83
• IUPAC Name: 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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one
• SMILES: CC(C)(C)C=Cc1ccccc1S(=O)(=O)NC(C)(C)C.CC(C)/C=C/c1cccnc1.CC(C)OCC1CC1.CC(C)OCc1cccnc1.CC(C)Oc1cncc(NC(=O)C(C)C)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc2c(c1)CC(=O)N2C.CC(C)c1cccc(CCC(=O)OC(C)(C)C)c1.CC(C)c1cnn(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.Cc1cc2nn(C)cc2cc1C(C)C
• InChI: InChI=1S/C16H25NO2S.C16H24O2.C13H17N.C12H18N2O2.2C12H16N2.C12H15NO.C12H18O.C12H16O.C12H18.C10H13N.C9H16N2.C9H13NO.C7H14O/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;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-8(2)12(15)14-10-5-11(7-13-6-10)16-9(3)4;1-8(2)11-6-10-7-14(4)13-12(10)5-9(11)3;1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3;1-8(2)9-4-5-11-10(6-9)7-12(14)13(11)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)5-6-10-4-3-7-11-8-10;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)11-7-9-4-3-5-10-6-9;1-6(2)8-5-7-3-4-7/h7-12,17H,1-6H3;6-8,11-12H,9-10H2,1-5H3;5-8,14H,1-4H3;5-9H,1-4H3,(H,14,15);2*5-8H,1-4H3;4-6,8H,7H2,1-3H3;5-8H,9H2,1-4H3;5-9H,4H2,1-3H3;5-10H,1-4H3;3-9H,1-2H3;5-8H,1-4H3;3-6,8H,7H2,1-2H3;6-7H,3-5H2,1-2H3/b;;;;;;;;;;6-5+
• InChIKey: IFTUSFMQTDKYOG-ZGJHXZOESA-N
• XLogP: 42.12
• TPSA: 283.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2600.86
LogP ≤ 5	42.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one?

The IUPAC name of 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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one (CID 158686242) is 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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one.

What is the SMILES notation for 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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one?

The canonical SMILES for 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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one is CC(C)(C)C=Cc1ccccc1S(=O)(=O)NC(C)(C)C.CC(C)/C=C/c1cccnc1.CC(C)OCC1CC1.CC(C)OCc1cccnc1.CC(C)Oc1cncc(NC(=O)C(C)C)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc2c(c1)CC(=O)N2C.CC(C)c1cccc(CCC(=O)OC(C)(C)C)c1.CC(C)c1cnn(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.Cc1cc2nn(C)cc2cc1C(C)C.

What is the InChIKey of 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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one?

The InChIKey is IFTUSFMQTDKYOG-ZGJHXZOESA-N. The full InChI is InChI=1S/C16H25NO2S.C16H24O2.C13H17N.C12H18N2O2.2C12H16N2.C12H15NO.C12H18O.C12H16O.C12H18.C10H13N.C9H16N2.C9H13NO.C7H14O/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;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-8(2)12(15)14-10-5-11(7-13-6-10)16-9(3)4;1-8(2)11-6-10-7-14(4)13-12(10)5-9(11)3;1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3;1-8(2)9-4-5-11-10(6-9)7-12(14)13(11)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)5-6-10-4-3-7-11-8-10;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)11-7-9-4-3-5-10-6-9;1-6(2)8-5-7-3-4-7/h7-12,17H,1-6H3;6-8,11-12H,9-10H2,1-5H3;5-8,14H,1-4H3;5-9H,1-4H3,(H,14,15);2*5-8H,1-4H3;4-6,8H,7H2,1-3H3;5-8H,9H2,1-4H3;5-9H,4H2,1-3H3;5-10H,1-4H3;3-9H,1-2H3;5-8H,1-4H3;3-6,8H,7H2,1-2H3;6-7H,3-5H2,1-2H3/b;;;;;;;;;;6-5+;;;.

What are the key properties of 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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one has a molecular weight of 2600.86 g/mol, XLogP of 42.12, 31 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 158686242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).