N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one

C172H241N15O10S2 — CID 160721929

IUPACN-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(=O)Nc1ccccc1/C=C/C(C)C.CC(C)(C)C=Cc1ccccc1S(=O)(=O)NC(C)(C)C.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)c1cccc(CCC(=O)OC(C)(C)C)c1.CC(C)c1cnn(C(C)C)c1.CCC(=O)c1ccc(C(C)C)cc1.Cc1c(C(C)(C)C)[nH]c2ccccc12.Cc1c(C(C)C)ccc2nn(C)cc12.Cc1cc2c(cnn2C)cc1C(C)C.Cc1cc2nn(C)cc2cc1C(C)C
InChIInChI=1S/C16H25NO2S.C16H24O2.2C13H17NO.C13H17N.3C12H16N2.C12H15NO.C12H16O.C12H18.C10H15NO2S.C10H13N.C9H16N2/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;1-10(2)8-9-12-6-4-5-7-13(12)14-11(3)15;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)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)10-5-6-12-11(9(10)3)7-14(4)13-12;1-8(2)9-4-5-11-10(6-9)7-12(14)13(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;1-8(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;1-7(2)9-5-10-11(6-9)8(3)4/h7-12,17H,1-6H3;6-8,11-12H,9-10H2,1-5H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);4-10H,1-3H3,(H,14,15);5-8,14H,1-4H3;3*5-8H,1-4H3;4-6,8H,7H2,1-3H3;5-9H,4H2,1-3H3;5-10H,1-4H3;4-8,11H,1-3H3;3-9H,1-2H3;5-8H,1-4H3/b;;;9-8+;;;;;;;;;6-5+;
InChIKeyRTFFMPYIKXDZLZ-ZBQQOWRVSA-N
MW2743.05 g/mol
LogP43.90
Rot. Bonds29

About N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one

N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;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 160721929) has the molecular formula C172H241N15O10S2 and a molecular weight of 2743.05 g/mol. Its IUPAC name is N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;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 NameN-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;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 CID160721929
Molecular FormulaC172H241N15O10S2
Molecular Weight2743.05 g/mol
Exact Mass2740.83
IUPAC NameN-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(=O)Nc1ccccc1/C=C/C(C)C.CC(C)(C)C=Cc1ccccc1S(=O)(=O)NC(C)(C)C.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)c1cccc(CCC(=O)OC(C)(C)C)c1.CC(C)c1cnn(C(C)C)c1.CCC(=O)c1ccc(C(C)C)cc1.Cc1c(C(C)(C)C)[nH]c2ccccc12.Cc1c(C(C)C)ccc2nn(C)cc12.Cc1cc2c(cnn2C)cc1C(C)C.Cc1cc2nn(C)cc2cc1C(C)C
InChIInChI=1S/C16H25NO2S.C16H24O2.2C13H17NO.C13H17N.3C12H16N2.C12H15NO.C12H16O.C12H18.C10H15NO2S.C10H13N.C9H16N2/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;1-10(2)8-9-12-6-4-5-7-13(12)14-11(3)15;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)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)10-5-6-12-11(9(10)3)7-14(4)13-12;1-8(2)9-4-5-11-10(6-9)7-12(14)13(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;1-8(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;1-7(2)9-5-10-11(6-9)8(3)4/h7-12,17H,1-6H3;6-8,11-12H,9-10H2,1-5H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);4-10H,1-3H3,(H,14,15);5-8,14H,1-4H3;3*5-8H,1-4H3;4-6,8H,7H2,1-3H3;5-9H,4H2,1-3H3;5-10H,1-4H3;4-8,11H,1-3H3;3-9H,1-2H3;5-8H,1-4H3/b;;;9-8+;;;;;;;;;6-5+;
InChIKeyRTFFMPYIKXDZLZ-ZBQQOWRVSA-N
XLogP43.90
TPSA314.18 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002743.05
LogP ≤ 543.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;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 N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;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 160721929) is N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;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 N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;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 N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;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(=O)Nc1ccccc1/C=C/C(C)C.CC(C)(C)C=Cc1ccccc1S(=O)(=O)NC(C)(C)C.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)c1cccc(CCC(=O)OC(C)(C)C)c1.CC(C)c1cnn(C(C)C)c1.CCC(=O)c1ccc(C(C)C)cc1.Cc1c(C(C)(C)C)[nH]c2ccccc12.Cc1c(C(C)C)ccc2nn(C)cc12.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;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;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 RTFFMPYIKXDZLZ-ZBQQOWRVSA-N. The full InChI is InChI=1S/C16H25NO2S.C16H24O2.2C13H17NO.C13H17N.3C12H16N2.C12H15NO.C12H16O.C12H18.C10H15NO2S.C10H13N.C9H16N2/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;1-10(2)8-9-12-6-4-5-7-13(12)14-11(3)15;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)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)10-5-6-12-11(9(10)3)7-14(4)13-12;1-8(2)9-4-5-11-10(6-9)7-12(14)13(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;1-8(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;1-7(2)9-5-10-11(6-9)8(3)4/h7-12,17H,1-6H3;6-8,11-12H,9-10H2,1-5H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);4-10H,1-3H3,(H,14,15);5-8,14H,1-4H3;3*5-8H,1-4H3;4-6,8H,7H2,1-3H3;5-9H,4H2,1-3H3;5-10H,1-4H3;4-8,11H,1-3H3;3-9H,1-2H3;5-8H,1-4H3/b;;;9-8+;;;;;;;;;6-5+;.
What are the key properties of N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one?
N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;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 2743.05 g/mol, XLogP of 43.90, 29 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;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;2,4-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;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-[(E)-3-methylbut-1-enyl]pyridine;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 160721929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).