2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid

C141H124ClF5N10O17S9 — CID 159711482

IUPAC2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid
SMILESCC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c(F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c2ccccc12)C(=O)O.CCc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cc1.COc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1.CSc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cc1.N#Cc1ccc(-c2cnccc2SC(F)(F)C(=O)O)c2ccccc12.N#Cc1ccc(-c2cnccc2SC2(C(=O)O)CCC2)c2ccccc12
InChIInChI=1S/C21H16N2O2S.C20H19NO3S.C19H16FNO2S.C18H10F2N2O2S.C17H19NO2S.C16H17NO2S2.C15H14ClNO2S.C15H13F2NO2S/c22-12-14-6-7-17(16-5-2-1-4-15(14)16)18-13-23-11-8-19(18)26-21(20(24)25)9-3-10-21;1-20(2,19(22)23)25-18-8-9-21-12-17(18)15-5-4-14-11-16(24-3)7-6-13(14)10-15;1-19(2,18(22)23)24-17-9-10-21-11-15(17)13-7-8-16(20)14-6-4-3-5-12(13)14;19-18(20,17(23)24)25-16-7-8-22-10-15(16)14-6-5-11(9-21)12-3-1-2-4-13(12)14;1-4-12-5-7-13(8-6-12)14-11-18-10-9-15(14)21-17(2,3)16(19)20;1-16(2,15(18)19)21-14-8-9-17-10-13(14)11-4-6-12(20-3)7-5-11;1-15(2,14(18)19)20-13-7-8-17-9-12(13)10-3-5-11(16)6-4-10;1-15(2,14(19)20)21-13-5-6-18-8-10(13)9-3-4-11(16)12(17)7-9/h1-2,4-8,11,13H,3,9-10H2,(H,24,25);4-12H,1-3H3,(H,22,23);3-11H,1-2H3,(H,22,23);1-8,10H,(H,23,24);5-11H,4H2,1-3H3,(H,19,20);4-10H,1-3H3,(H,18,19);3-9H,1-2H3,(H,18,19);3-8H,1-2H3,(H,19,20)
InChIKeyMYWXHZHZPPDFIT-UHFFFAOYSA-N
MW2649.64 g/mol
LogP36.31
Rot. Bonds35

About 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid

2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid (PubChem CID 159711482) has the molecular formula C141H124ClF5N10O17S9 and a molecular weight of 2649.64 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid
PubChem CID159711482
Molecular FormulaC141H124ClF5N10O17S9
Molecular Weight2649.64 g/mol
Exact Mass2646.62
IUPAC Name2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid
SMILESCC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c(F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c2ccccc12)C(=O)O.CCc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cc1.COc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1.CSc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cc1.N#Cc1ccc(-c2cnccc2SC(F)(F)C(=O)O)c2ccccc12.N#Cc1ccc(-c2cnccc2SC2(C(=O)O)CCC2)c2ccccc12
InChIInChI=1S/C21H16N2O2S.C20H19NO3S.C19H16FNO2S.C18H10F2N2O2S.C17H19NO2S.C16H17NO2S2.C15H14ClNO2S.C15H13F2NO2S/c22-12-14-6-7-17(16-5-2-1-4-15(14)16)18-13-23-11-8-19(18)26-21(20(24)25)9-3-10-21;1-20(2,19(22)23)25-18-8-9-21-12-17(18)15-5-4-14-11-16(24-3)7-6-13(14)10-15;1-19(2,18(22)23)24-17-9-10-21-11-15(17)13-7-8-16(20)14-6-4-3-5-12(13)14;19-18(20,17(23)24)25-16-7-8-22-10-15(16)14-6-5-11(9-21)12-3-1-2-4-13(12)14;1-4-12-5-7-13(8-6-12)14-11-18-10-9-15(14)21-17(2,3)16(19)20;1-16(2,15(18)19)21-14-8-9-17-10-13(14)11-4-6-12(20-3)7-5-11;1-15(2,14(18)19)20-13-7-8-17-9-12(13)10-3-5-11(16)6-4-10;1-15(2,14(19)20)21-13-5-6-18-8-10(13)9-3-4-11(16)12(17)7-9/h1-2,4-8,11,13H,3,9-10H2,(H,24,25);4-12H,1-3H3,(H,22,23);3-11H,1-2H3,(H,22,23);1-8,10H,(H,23,24);5-11H,4H2,1-3H3,(H,19,20);4-10H,1-3H3,(H,18,19);3-9H,1-2H3,(H,18,19);3-8H,1-2H3,(H,19,20)
InChIKeyMYWXHZHZPPDFIT-UHFFFAOYSA-N
XLogP36.31
TPSA458.33 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002649.64
LogP ≤ 536.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[3-(4-Chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid
CID 157263599
2-[[3-(4-Cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid
CID 158375225
2-[[3-(4-Aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;4-[4-(2-carboxypropan-2-ylsulfanyl)-3-pyridinyl]-3-fluorobenzoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(5-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid
CID 159426574
2-[[3-(4-Aminophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-carbamoyl-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-2-methylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid
CID 160792414
2-[[3-(4-Chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyano-3-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(dimethylamino)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid
CID 162242820
2-[[3-(4-Chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid
CID 157913822
2-[[3-(4-Chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid
CID 158003219
2-[[3-(4-Chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid
CID 158786819
2-[[3-(1,3-Benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-bromonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid
CID 158822095
1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane
CID 159641560

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid?
The IUPAC name of 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid (CID 159711482) is 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid is CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c(F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c2ccccc12)C(=O)O.CCc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cc1.COc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1.CSc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cc1.N#Cc1ccc(-c2cnccc2SC(F)(F)C(=O)O)c2ccccc12.N#Cc1ccc(-c2cnccc2SC2(C(=O)O)CCC2)c2ccccc12.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid?
The InChIKey is MYWXHZHZPPDFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S.C20H19NO3S.C19H16FNO2S.C18H10F2N2O2S.C17H19NO2S.C16H17NO2S2.C15H14ClNO2S.C15H13F2NO2S/c22-12-14-6-7-17(16-5-2-1-4-15(14)16)18-13-23-11-8-19(18)26-21(20(24)25)9-3-10-21;1-20(2,19(22)23)25-18-8-9-21-12-17(18)15-5-4-14-11-16(24-3)7-6-13(14)10-15;1-19(2,18(22)23)24-17-9-10-21-11-15(17)13-7-8-16(20)14-6-4-3-5-12(13)14;19-18(20,17(23)24)25-16-7-8-22-10-15(16)14-6-5-11(9-21)12-3-1-2-4-13(12)14;1-4-12-5-7-13(8-6-12)14-11-18-10-9-15(14)21-17(2,3)16(19)20;1-16(2,15(18)19)21-14-8-9-17-10-13(14)11-4-6-12(20-3)7-5-11;1-15(2,14(18)19)20-13-7-8-17-9-12(13)10-3-5-11(16)6-4-10;1-15(2,14(19)20)21-13-5-6-18-8-10(13)9-3-4-11(16)12(17)7-9/h1-2,4-8,11,13H,3,9-10H2,(H,24,25);4-12H,1-3H3,(H,22,23);3-11H,1-2H3,(H,22,23);1-8,10H,(H,23,24);5-11H,4H2,1-3H3,(H,19,20);4-10H,1-3H3,(H,18,19);3-9H,1-2H3,(H,18,19);3-8H,1-2H3,(H,19,20).
What are the key properties of 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid?
2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid has a molecular weight of 2649.64 g/mol, XLogP of 36.31, 35 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid is sourced from PubChem (CID 159711482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).