1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane

C264H421N17O12S4 — CID 159243334

IUPAC1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1.CC(C)(C)c1ccccc1-c1ncc[nH]1.CC(C)(C)c1ccccc1C1=CCC=N1.CC(C)(C)c1ccccc1C1CCC1.CC(C)(C)c1ccccc1C1CCCNC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCCC1.CC(C)c1cccnc1C(C)(C)C.CC1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)C1.CCC(=O)c1ccccc1C(C)(C)C.CCC(=O)c1ccccc1C(C)(C)C.CN(C)C(=O)c1ccccc1C(C)(C)C.CN(c1cccc(C(C)(C)C)c1)S(C)(=O)=O.CN1CC(c2ccccc2C(C)(C)C)C1.CN1CCC(c2ccccc2C(C)(C)C)C1.CN1CCC(c2ccccc2C(C)(C)C)CC1.CN1CCCC(c2ccccc2C(C)(C)C)C1.Cc1ccccc1C(C)(C)C.Cn1ccnc1-c1ccccc1C(C)(C)C
InChIInChI=1S/C16H24N2O3S.2C16H25N.C15H23NO2S.2C15H23N.C14H18N2.C14H21NO2S.C14H21N.C14H17N.C14H20.C13H16N2.C13H19NO.2C13H18O.C12H19NO2S.C12H19N.C11H16.14CH4/c1-13(19)17-9-11-18(12-10-17)22(20,21)15-8-6-5-7-14(15)16(2,3)4;1-16(2,3)15-10-6-5-9-14(15)13-8-7-11-17(4)12-13;1-16(2,3)15-8-6-5-7-14(15)13-9-11-17(4)12-10-13;1-12-9-10-16(11-12)19(17,18)14-8-6-5-7-13(14)15(2,3)4;1-15(2,3)14-8-6-5-7-13(14)12-9-10-16(4)11-12;1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-14(2,3)12-8-6-5-7-11(12)13-15-9-10-16(13)4;1-14(2,3)12-8-4-5-9-13(12)18(16,17)15-10-6-7-11-15;1-14(2,3)13-8-6-5-7-12(13)11-9-15(4)10-11;1-14(2,3)12-8-5-4-7-11(12)13-9-6-10-15-13;1-14(2,3)13-10-5-4-9-12(13)11-7-6-8-11;1-13(2,3)11-7-5-4-6-10(11)12-14-8-9-15-12;1-13(2,3)11-9-7-6-8-10(11)12(15)14(4)5;2*1-5-12(14)10-8-6-7-9-11(10)13(2,3)4;1-12(2,3)10-7-6-8-11(9-10)13(4)16(5,14)15;1-9(2)10-7-6-8-13-11(10)12(3,4)5;1-9-7-5-6-8-10(9)11(2,3)4;;;;;;;;;;;;;;/h5-8H,9-12H2,1-4H3;5-6,9-10,13H,7-8,11-12H2,1-4H3;5-8,13H,9-12H2,1-4H3;5-8,12H,9-11H2,1-4H3;5-8,12H,9-11H2,1-4H3;4-5,8-9,12,16H,6-7,10-11H2,1-3H3;5-10H,1-4H3;4-5,8-9H,6-7,10-11H2,1-3H3;5-8,11H,9-10H2,1-4H3;4-5,7-10H,6H2,1-3H3;4-5,9-11H,6-8H2,1-3H3;4-9H,1-3H3,(H,14,15);6-9H,1-5H3;2*6-9H,5H2,1-4H3;6-9H,1-5H3;6-9H,1-5H3;5-8H,1-4H3;14*1H4
InChIKeyKUJFYLMUXUNWPQ-UHFFFAOYSA-N
MW4153.65 g/mol
LogP67.80
Rot. Bonds23

About 1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane

1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane (PubChem CID 159243334) has the molecular formula C264H421N17O12S4 and a molecular weight of 4153.65 g/mol. Its IUPAC name is 1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane.

Molecular Properties

Compound Name1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane
PubChem CID159243334
Molecular FormulaC264H421N17O12S4
Molecular Weight4153.65 g/mol
Exact Mass4150.17
IUPAC Name1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1.CC(C)(C)c1ccccc1-c1ncc[nH]1.CC(C)(C)c1ccccc1C1=CCC=N1.CC(C)(C)c1ccccc1C1CCC1.CC(C)(C)c1ccccc1C1CCCNC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCCC1.CC(C)c1cccnc1C(C)(C)C.CC1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)C1.CCC(=O)c1ccccc1C(C)(C)C.CCC(=O)c1ccccc1C(C)(C)C.CN(C)C(=O)c1ccccc1C(C)(C)C.CN(c1cccc(C(C)(C)C)c1)S(C)(=O)=O.CN1CC(c2ccccc2C(C)(C)C)C1.CN1CCC(c2ccccc2C(C)(C)C)C1.CN1CCC(c2ccccc2C(C)(C)C)CC1.CN1CCCC(c2ccccc2C(C)(C)C)C1.Cc1ccccc1C(C)(C)C.Cn1ccnc1-c1ccccc1C(C)(C)C
InChIInChI=1S/C16H24N2O3S.2C16H25N.C15H23NO2S.2C15H23N.C14H18N2.C14H21NO2S.C14H21N.C14H17N.C14H20.C13H16N2.C13H19NO.2C13H18O.C12H19NO2S.C12H19N.C11H16.14CH4/c1-13(19)17-9-11-18(12-10-17)22(20,21)15-8-6-5-7-14(15)16(2,3)4;1-16(2,3)15-10-6-5-9-14(15)13-8-7-11-17(4)12-13;1-16(2,3)15-8-6-5-7-14(15)13-9-11-17(4)12-10-13;1-12-9-10-16(11-12)19(17,18)14-8-6-5-7-13(14)15(2,3)4;1-15(2,3)14-8-6-5-7-13(14)12-9-10-16(4)11-12;1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-14(2,3)12-8-6-5-7-11(12)13-15-9-10-16(13)4;1-14(2,3)12-8-4-5-9-13(12)18(16,17)15-10-6-7-11-15;1-14(2,3)13-8-6-5-7-12(13)11-9-15(4)10-11;1-14(2,3)12-8-5-4-7-11(12)13-9-6-10-15-13;1-14(2,3)13-10-5-4-9-12(13)11-7-6-8-11;1-13(2,3)11-7-5-4-6-10(11)12-14-8-9-15-12;1-13(2,3)11-9-7-6-8-10(11)12(15)14(4)5;2*1-5-12(14)10-8-6-7-9-11(10)13(2,3)4;1-12(2,3)10-7-6-8-11(9-10)13(4)16(5,14)15;1-9(2)10-7-6-8-13-11(10)12(3,4)5;1-9-7-5-6-8-10(9)11(2,3)4;;;;;;;;;;;;;;/h5-8H,9-12H2,1-4H3;5-6,9-10,13H,7-8,11-12H2,1-4H3;5-8,13H,9-12H2,1-4H3;5-8,12H,9-11H2,1-4H3;5-8,12H,9-11H2,1-4H3;4-5,8-9,12,16H,6-7,10-11H2,1-3H3;5-10H,1-4H3;4-5,8-9H,6-7,10-11H2,1-3H3;5-8,11H,9-10H2,1-4H3;4-5,7-10H,6H2,1-3H3;4-5,9-11H,6-8H2,1-3H3;4-9H,1-3H3,(H,14,15);6-9H,1-5H3;2*6-9H,5H2,1-4H3;6-9H,1-5H3;6-9H,1-5H3;5-8H,1-4H3;14*1H4
InChIKeyKUJFYLMUXUNWPQ-UHFFFAOYSA-N
XLogP67.80
TPSA321.02 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004153.65
LogP ≤ 567.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-ethylsulfonylbenzene;1-tert-butyl-2-methylsulfonylbenzene;4-[(3-tert-butylphenyl)methyl]oxane;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
CID 161444609
N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide
CID 157238734
[2-(1H-imidazol-2-yl)phenyl]-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 56867799
(3S)-3-(2-tert-butylphenyl)piperidine
CID 118547022
2-(1H-imidazol-2-yl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]benzamide
CID 56919155
2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene
CID 160974423
[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 42984993
4-chloro-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[2-(prop-2-ynylcarbamoyl)phenyl]benzamide
CID 51960183
4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide
CID 6503383
N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 96577296
1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
CID 68933615
N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane?
The IUPAC name of 1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane (CID 159243334) is 1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane.
What is the SMILES notation for 1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane?
The canonical SMILES for 1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1.CC(C)(C)c1ccccc1-c1ncc[nH]1.CC(C)(C)c1ccccc1C1=CCC=N1.CC(C)(C)c1ccccc1C1CCC1.CC(C)(C)c1ccccc1C1CCCNC1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCCC1.CC(C)c1cccnc1C(C)(C)C.CC1CCN(S(=O)(=O)c2ccccc2C(C)(C)C)C1.CCC(=O)c1ccccc1C(C)(C)C.CCC(=O)c1ccccc1C(C)(C)C.CN(C)C(=O)c1ccccc1C(C)(C)C.CN(c1cccc(C(C)(C)C)c1)S(C)(=O)=O.CN1CC(c2ccccc2C(C)(C)C)C1.CN1CCC(c2ccccc2C(C)(C)C)C1.CN1CCC(c2ccccc2C(C)(C)C)CC1.CN1CCCC(c2ccccc2C(C)(C)C)C1.Cc1ccccc1C(C)(C)C.Cn1ccnc1-c1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane?
The InChIKey is KUJFYLMUXUNWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.2C16H25N.C15H23NO2S.2C15H23N.C14H18N2.C14H21NO2S.C14H21N.C14H17N.C14H20.C13H16N2.C13H19NO.2C13H18O.C12H19NO2S.C12H19N.C11H16.14CH4/c1-13(19)17-9-11-18(12-10-17)22(20,21)15-8-6-5-7-14(15)16(2,3)4;1-16(2,3)15-10-6-5-9-14(15)13-8-7-11-17(4)12-13;1-16(2,3)15-8-6-5-7-14(15)13-9-11-17(4)12-10-13;1-12-9-10-16(11-12)19(17,18)14-8-6-5-7-13(14)15(2,3)4;1-15(2,3)14-8-6-5-7-13(14)12-9-10-16(4)11-12;1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-14(2,3)12-8-6-5-7-11(12)13-15-9-10-16(13)4;1-14(2,3)12-8-4-5-9-13(12)18(16,17)15-10-6-7-11-15;1-14(2,3)13-8-6-5-7-12(13)11-9-15(4)10-11;1-14(2,3)12-8-5-4-7-11(12)13-9-6-10-15-13;1-14(2,3)13-10-5-4-9-12(13)11-7-6-8-11;1-13(2,3)11-7-5-4-6-10(11)12-14-8-9-15-12;1-13(2,3)11-9-7-6-8-10(11)12(15)14(4)5;2*1-5-12(14)10-8-6-7-9-11(10)13(2,3)4;1-12(2,3)10-7-6-8-11(9-10)13(4)16(5,14)15;1-9(2)10-7-6-8-13-11(10)12(3,4)5;1-9-7-5-6-8-10(9)11(2,3)4;;;;;;;;;;;;;;/h5-8H,9-12H2,1-4H3;5-6,9-10,13H,7-8,11-12H2,1-4H3;5-8,13H,9-12H2,1-4H3;5-8,12H,9-11H2,1-4H3;5-8,12H,9-11H2,1-4H3;4-5,8-9,12,16H,6-7,10-11H2,1-3H3;5-10H,1-4H3;4-5,8-9H,6-7,10-11H2,1-3H3;5-8,11H,9-10H2,1-4H3;4-5,7-10H,6H2,1-3H3;4-5,9-11H,6-8H2,1-3H3;4-9H,1-3H3,(H,14,15);6-9H,1-5H3;2*6-9H,5H2,1-4H3;6-9H,1-5H3;6-9H,1-5H3;5-8H,1-4H3;14*1H4.
What are the key properties of 1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane?
1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane has a molecular weight of 4153.65 g/mol, XLogP of 67.80, 23 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane is sourced from PubChem (CID 159243334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).