4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid

C100H75Cl4N13O16S6 — CID 161438462

IUPAC4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
SMILESCc1c(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cnn1-c1ccccc1.Cc1ccc(-c2csc(NC(=O)c3cc(C)n(C)n3)c2C(=O)O)cc1.Cn1nc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cc1-c1ccco1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cnn(-c2ccccc2)c1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc(C2CC2)cs1
InChIInChI=1S/C23H17ClN2O3S.C21H14ClN3O3S.C20H14ClN3O4S.C18H13ClN2O3S2.C18H17N3O3S/c1-14-18(12-25-26(14)17-5-3-2-4-6-17)20(27)11-21-22(23(28)29)19(13-30-21)15-7-9-16(24)10-8-15;22-15-8-6-13(7-9-15)17-12-29-20(18(17)21(27)28)24-19(26)14-10-23-25(11-14)16-4-2-1-3-5-16;1-24-15(16-3-2-8-28-16)9-14(23-24)18(25)22-19-17(20(26)27)13(10-29-19)11-4-6-12(21)7-5-11;19-11-5-3-9(4-6-11)12-7-25-16(14(12)18(23)24)21-15(22)17-20-13(8-26-17)10-1-2-10;1-10-4-6-12(7-5-10)13-9-25-17(15(13)18(23)24)19-16(22)14-8-11(2)21(3)20-14/h2-10,12-13H,11H2,1H3,(H,28,29);1-12H,(H,24,26)(H,27,28);2-10H,1H3,(H,22,25)(H,26,27);3-8,10H,1-2H2,(H,21,22)(H,23,24);4-9H,1-3H3,(H,19,22)(H,23,24)
InChIKeyVYYLJOLUATZWPU-UHFFFAOYSA-N
MW2048.99 g/mol
LogP24.97
Rot. Bonds25

About 4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid

4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid (PubChem CID 161438462) has the molecular formula C100H75Cl4N13O16S6 and a molecular weight of 2048.99 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
PubChem CID161438462
Molecular FormulaC100H75Cl4N13O16S6
Molecular Weight2048.99 g/mol
Exact Mass2045.25
IUPAC Name4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
SMILESCc1c(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cnn1-c1ccccc1.Cc1ccc(-c2csc(NC(=O)c3cc(C)n(C)n3)c2C(=O)O)cc1.Cn1nc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cc1-c1ccco1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cnn(-c2ccccc2)c1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc(C2CC2)cs1
InChIInChI=1S/C23H17ClN2O3S.C21H14ClN3O3S.C20H14ClN3O4S.C18H13ClN2O3S2.C18H17N3O3S/c1-14-18(12-25-26(14)17-5-3-2-4-6-17)20(27)11-21-22(23(28)29)19(13-30-21)15-7-9-16(24)10-8-15;22-15-8-6-13(7-9-15)17-12-29-20(18(17)21(27)28)24-19(26)14-10-23-25(11-14)16-4-2-1-3-5-16;1-24-15(16-3-2-8-28-16)9-14(23-24)18(25)22-19-17(20(26)27)13(10-29-19)11-4-6-12(21)7-5-11;19-11-5-3-9(4-6-11)12-7-25-16(14(12)18(23)24)21-15(22)17-20-13(8-26-17)10-1-2-10;1-10-4-6-12(7-5-10)13-9-25-17(15(13)18(23)24)19-16(22)14-8-11(2)21(3)20-14/h2-10,12-13H,11H2,1H3,(H,28,29);1-12H,(H,24,26)(H,27,28);2-10H,1H3,(H,22,25)(H,26,27);3-8,10H,1-2H2,(H,21,22)(H,23,24);4-9H,1-3H3,(H,19,22)(H,23,24)
InChIKeyVYYLJOLUATZWPU-UHFFFAOYSA-N
XLogP24.97
TPSA417.28 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002048.99
LogP ≤ 524.97
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid with MolForge

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Related Compounds

2-(1-Benzofuran-2-carbonylamino)-4-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-[1-(4-chlorophenyl)pyrazol-4-yl]thiophene-3-carboxylic acid;4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 157950464
2-(1-Benzofuran-2-carbonylamino)-4-(5-bromothiophen-2-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(2,4-dimethyl-1,3-thiazol-5-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)thiophene-3-carboxylic acid;2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-3-carboxylic acid;2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]-4-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]thiophene-3-carboxylic acid;4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 159538904
4-(4-Chlorophenyl)-2-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid;methane
CID 159777620
2-Benzamido-4-(5-methylfuran-2-yl)thiophene-3-carboxylic acid;tert-butyl 4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate;2-[(2-chlorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;4-(2,5-dimethylpyrazol-3-yl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-[(4-methylbenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylic acid;2-[2-(4-methylphenyl)-2-oxoethyl]-4-(1,3-oxazol-2-yl)thiophene-3-carboxylic acid
CID 157546772
2-(4-chlorophenyl)-4-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(5-phenyl-1H-pyrazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-[1-(1,5-dimethylpyrazol-3-yl)ethenylamino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 157629252
4-(4-Chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 158930474
4-Benzamido-2-(5-methylfuran-2-yl)thiophene-3-carboxylic acid;tert-butyl 2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylate;4-[(2-chlorobenzoyl)amino]-2-thiophen-2-ylthiophene-3-carboxylic acid;2-[1-(4-chlorophenyl)pyrazol-4-yl]-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;2-(2,5-dimethylpyrazol-3-yl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid;4-[2-(4-fluorophenyl)-2-oxoethyl]-2-(1,3-oxazol-2-yl)thiophene-3-carboxylic acid;4-[(4-methylbenzoyl)amino]-2-thiophen-2-ylthiophene-3-carboxylic acid
CID 160606602
4-(4-Chlorophenyl)-2-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 160898630
4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 161208705
4-(4-Chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 161611175
4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 162060148
2-(2H-benzimidazole-5-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(furo[3,2-b]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 162245873

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid (CID 161438462) is 4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid is Cc1c(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cnn1-c1ccccc1.Cc1ccc(-c2csc(NC(=O)c3cc(C)n(C)n3)c2C(=O)O)cc1.Cn1nc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cc1-c1ccco1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cnn(-c2ccccc2)c1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc(C2CC2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid?
The InChIKey is VYYLJOLUATZWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3S.C21H14ClN3O3S.C20H14ClN3O4S.C18H13ClN2O3S2.C18H17N3O3S/c1-14-18(12-25-26(14)17-5-3-2-4-6-17)20(27)11-21-22(23(28)29)19(13-30-21)15-7-9-16(24)10-8-15;22-15-8-6-13(7-9-15)17-12-29-20(18(17)21(27)28)24-19(26)14-10-23-25(11-14)16-4-2-1-3-5-16;1-24-15(16-3-2-8-28-16)9-14(23-24)18(25)22-19-17(20(26)27)13(10-29-19)11-4-6-12(21)7-5-11;19-11-5-3-9(4-6-11)12-7-25-16(14(12)18(23)24)21-15(22)17-20-13(8-26-17)10-1-2-10;1-10-4-6-12(7-5-10)13-9-25-17(15(13)18(23)24)19-16(22)14-8-11(2)21(3)20-14/h2-10,12-13H,11H2,1H3,(H,28,29);1-12H,(H,24,26)(H,27,28);2-10H,1H3,(H,22,25)(H,26,27);3-8,10H,1-2H2,(H,21,22)(H,23,24);4-9H,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid?
4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid has a molecular weight of 2048.99 g/mol, XLogP of 24.97, 25 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 161438462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).