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

C121H112ClF2N11O20S9 — CID 158786819

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-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
SMILESCC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c(F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(N)(=O)=O)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2c(c1)OCCO2)C(=O)O.N#Cc1ccc(-c2cnccc2SC2(C(=O)O)CCC2)c2ccccc12
InChIInChI=1S/C21H16N2O2S.C20H16N2O2S.C18H20N2O4S2.C17H17NO4S.C15H14ClNO2S.C15H13F2NO2S.C15H16N2O4S2/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(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16;1-18(2,17(21)22)25-16-9-10-19-11-15(16)12-3-7-14(8-4-12)26(23,24)20-13-5-6-13;1-17(2,16(19)20)23-15-5-6-18-10-12(15)11-3-4-13-14(9-11)22-8-7-21-13;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;1-15(2,14(18)19)22-13-7-8-17-9-12(13)10-3-5-11(6-4-10)23(16,20)21/h1-2,4-8,11,13H,3,9-10H2,(H,24,25);3-10,12H,1-2H3,(H,23,24);3-4,7-11,13,20H,5-6H2,1-2H3,(H,21,22);3-6,9-10H,7-8H2,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19)(H2,16,20,21)
InChIKeyIRUBEIWQYARQKM-UHFFFAOYSA-N
MW2402.34 g/mol
LogP26.91
Rot. Bonds32

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-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

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 (PubChem CID 158786819) has the molecular formula C121H112ClF2N11O20S9 and a molecular weight of 2402.34 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-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.

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-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
PubChem CID158786819
Molecular FormulaC121H112ClF2N11O20S9
Molecular Weight2402.34 g/mol
Exact Mass2399.52
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-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
SMILESCC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c(F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(N)(=O)=O)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2c(c1)OCCO2)C(=O)O.N#Cc1ccc(-c2cnccc2SC2(C(=O)O)CCC2)c2ccccc12
InChIInChI=1S/C21H16N2O2S.C20H16N2O2S.C18H20N2O4S2.C17H17NO4S.C15H14ClNO2S.C15H13F2NO2S.C15H16N2O4S2/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(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16;1-18(2,17(21)22)25-16-9-10-19-11-15(16)12-3-7-14(8-4-12)26(23,24)20-13-5-6-13;1-17(2,16(19)20)23-15-5-6-18-10-12(15)11-3-4-13-14(9-11)22-8-7-21-13;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;1-15(2,14(18)19)22-13-7-8-17-9-12(13)10-3-5-11(6-4-10)23(16,20)21/h1-2,4-8,11,13H,3,9-10H2,(H,24,25);3-10,12H,1-2H3,(H,23,24);3-4,7-11,13,20H,5-6H2,1-2H3,(H,21,22);3-6,9-10H,7-8H2,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19)(H2,16,20,21)
InChIKeyIRUBEIWQYARQKM-UHFFFAOYSA-N
XLogP26.91
TPSA523.70 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002402.34
LogP ≤ 526.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

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-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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-Chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid
CID 157334895
2-[[3-(1,3-Benzodioxol-5-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-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid
CID 157922412
2-[[3-(1,3-Benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(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-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid
CID 159078191
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
2-[[3-(1,3-Benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(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-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid
CID 159774954
2-[[3-(1,3-Benzodioxol-5-yl)-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-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid
CID 161355377
2-[[3-(1,3-Benzodioxol-5-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-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(4-methoxyphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid
CID 161445137
2-[[3-(1,3-Benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid
CID 161562698
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

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-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?
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-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) 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-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.
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-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?
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-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 is CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c(F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(N)(=O)=O)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2c(c1)OCCO2)C(=O)O.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-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?
The InChIKey is IRUBEIWQYARQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S.C20H16N2O2S.C18H20N2O4S2.C17H17NO4S.C15H14ClNO2S.C15H13F2NO2S.C15H16N2O4S2/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(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16;1-18(2,17(21)22)25-16-9-10-19-11-15(16)12-3-7-14(8-4-12)26(23,24)20-13-5-6-13;1-17(2,16(19)20)23-15-5-6-18-10-12(15)11-3-4-13-14(9-11)22-8-7-21-13;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;1-15(2,14(18)19)22-13-7-8-17-9-12(13)10-3-5-11(6-4-10)23(16,20)21/h1-2,4-8,11,13H,3,9-10H2,(H,24,25);3-10,12H,1-2H3,(H,23,24);3-4,7-11,13,20H,5-6H2,1-2H3,(H,21,22);3-6,9-10H,7-8H2,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19)(H2,16,20,21).
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-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?
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 has a molecular weight of 2402.34 g/mol, XLogP of 26.91, 32 rotatable bonds, 9 hydrogen bond donors, and 29 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-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 is sourced from PubChem (CID 158786819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).