2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane

C142H177F3N10O12S6 — CID 158264583

IUPAC2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane
SMILESC.CC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)(=O)NC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.COc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.Cc1ccc(OC(F)(F)F)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(=O)N(C)S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/C19H24N2O3S.C18H24N2O3S2.C18H23NOS.C18H21NO.C17H18F3NO.C17H21NO2S.C17H21NO.C17H21NS.CH4/c1-6-25(23,24)21-18(22)14-11-10-13(2)15(12-14)16-8-7-9-17(20-16)19(3,4)5;1-13-10-11-14(24(21)20(5)25(6,22)23)12-15(13)16-8-7-9-17(19-16)18(2,3)4;1-6-21(20)14-11-10-13(2)15(12-14)16-8-7-9-17(19-16)18(3,4)5;1-12-9-10-14(13(2)20)11-15(12)16-7-6-8-17(19-16)18(3,4)5;1-11-8-9-12(22-17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4;1-12-9-10-13(21(5,19)20)11-14(12)15-7-6-8-16(18-15)17(2,3)4;2*1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4;/h7-12H,6H2,1-5H3,(H,21,22);7-12H,1-6H3;7-12H,6H2,1-5H3;6-11H,1-5H3;5-10H,1-4H3;6-11H,1-5H3;2*6-11H,1-5H3;1H4
InChIKeyGIGXFHAZMWBFRF-UHFFFAOYSA-N
MW2465.43 g/mol
LogP34.83
Rot. Bonds21

About 2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane

2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane (PubChem CID 158264583) has the molecular formula C142H177F3N10O12S6 and a molecular weight of 2465.43 g/mol. Its IUPAC name is 2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane.

Molecular Properties

Compound Name2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane
PubChem CID158264583
Molecular FormulaC142H177F3N10O12S6
Molecular Weight2465.43 g/mol
Exact Mass2463.18
IUPAC Name2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane
SMILESC.CC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)(=O)NC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.COc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.Cc1ccc(OC(F)(F)F)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(=O)N(C)S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/C19H24N2O3S.C18H24N2O3S2.C18H23NOS.C18H21NO.C17H18F3NO.C17H21NO2S.C17H21NO.C17H21NS.CH4/c1-6-25(23,24)21-18(22)14-11-10-13(2)15(12-14)16-8-7-9-17(20-16)19(3,4)5;1-13-10-11-14(24(21)20(5)25(6,22)23)12-15(13)16-8-7-9-17(19-16)18(2,3)4;1-6-21(20)14-11-10-13(2)15(12-14)16-8-7-9-17(19-16)18(3,4)5;1-12-9-10-14(13(2)20)11-15(12)16-7-6-8-17(19-16)18(3,4)5;1-11-8-9-12(22-17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4;1-12-9-10-13(21(5,19)20)11-14(12)15-7-6-8-16(18-15)17(2,3)4;2*1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4;/h7-12H,6H2,1-5H3,(H,21,22);7-12H,1-6H3;7-12H,6H2,1-5H3;6-11H,1-5H3;5-10H,1-4H3;6-11H,1-5H3;2*6-11H,1-5H3;1H4
InChIKeyGIGXFHAZMWBFRF-UHFFFAOYSA-N
XLogP34.83
TPSA307.55 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002465.43
LogP ≤ 534.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane with MolForge

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Related Compounds

2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 157085976
1-Tert-butyl-2-fluoro-3-(5-methoxy-2-methylphenyl)benzene;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tetrakis(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethoxy)phenyl]benzene;1-[3-(3-tert-butyl-2-fluorophenyl)-4-methylphenyl]ethanone;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone)
CID 157138416
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 157655779
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;methane
CID 157938331
2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 158426217
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
CID 158549976
1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
CID 159798970
2-(4-acetyl-6-tert-butyl-2-pyridinyl)benzonitrile;2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-[2-tert-butyl-6-(2-methoxyphenyl)-4-pyridinyl]ethanone;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide
CID 160566270
Cumene;(4,4-dimethylpiperazin-4-ium-1-yl)-(3-propan-2-ylphenyl)methanone;tetrakis(1-methyl-3-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-methylsulfanyl-3-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)ethanone);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 160572865
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
CID 161019160
2-tert-butyl-6-(2-chloro-5-ethylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-ethylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-chloro-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-chlorophenyl]ethanone
CID 161562137
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfanyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
CID 162150658

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane?
The IUPAC name of 2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane (CID 158264583) is 2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane.
What is the SMILES notation for 2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane?
The canonical SMILES for 2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane is C.CC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)(=O)NC(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CCS(=O)c1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.COc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.Cc1ccc(OC(F)(F)F)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(=O)N(C)S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.Cc1ccc(S(C)(=O)=O)cc1-c1cccc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane?
The InChIKey is GIGXFHAZMWBFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S.C18H24N2O3S2.C18H23NOS.C18H21NO.C17H18F3NO.C17H21NO2S.C17H21NO.C17H21NS.CH4/c1-6-25(23,24)21-18(22)14-11-10-13(2)15(12-14)16-8-7-9-17(20-16)19(3,4)5;1-13-10-11-14(24(21)20(5)25(6,22)23)12-15(13)16-8-7-9-17(19-16)18(2,3)4;1-6-21(20)14-11-10-13(2)15(12-14)16-8-7-9-17(19-16)18(3,4)5;1-12-9-10-14(13(2)20)11-15(12)16-7-6-8-17(19-16)18(3,4)5;1-11-8-9-12(22-17(18,19)20)10-13(11)14-6-5-7-15(21-14)16(2,3)4;1-12-9-10-13(21(5,19)20)11-14(12)15-7-6-8-16(18-15)17(2,3)4;2*1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4;/h7-12H,6H2,1-5H3,(H,21,22);7-12H,1-6H3;7-12H,6H2,1-5H3;6-11H,1-5H3;5-10H,1-4H3;6-11H,1-5H3;2*6-11H,1-5H3;1H4.
What are the key properties of 2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane?
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane has a molecular weight of 2465.43 g/mol, XLogP of 34.83, 21 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;N-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]sulfinyl-N-methylmethanesulfonamide;methane is sourced from PubChem (CID 158264583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).