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

C117H87Cl5N14O19S6 — CID 160898630

About 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

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 (PubChem CID 160898630) has the molecular formula C117H87Cl5N14O19S6 and a molecular weight of 2362.73 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160898630
• Molecular Formula: C117H87Cl5N14O19S6
• Molecular Weight: 2362.73 g/mol
• Exact Mass: 2358.30
• IUPAC Name: 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
• SMILES: 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.Cn1cnc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)c1.Cn1nc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cc1-c1ccccc1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccco1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cnn(-c2ccccc2)c1
• InChI: InChI=1S/C23H17ClN2O3S.C22H16ClN3O3S.C21H14ClN3O3S.C18H17N3O3S.C17H11ClO4S.C16H12ClN3O3S/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;1-26-18(14-5-3-2-4-6-14)11-17(25-26)20(27)24-21-19(22(28)29)16(12-30-21)13-7-9-15(23)10-8-13;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;1-10-4-6-12(7-5-10)13-9-25-17(15(13)18(23)24)19-16(22)14-8-11(2)21(3)20-14;18-11-5-3-10(4-6-11)12-9-23-15(16(12)17(20)21)8-13(19)14-2-1-7-22-14;1-20-6-12(18-8-20)14(21)19-15-13(16(22)23)11(7-24-15)9-2-4-10(17)5-3-9/h2-10,12-13H,11H2,1H3,(H,28,29);2-12H,1H3,(H,24,27)(H,28,29);1-12H,(H,24,26)(H,27,28);4-9H,1-3H3,(H,19,22)(H,23,24);1-7,9H,8H2,(H,20,21);2-8H,1H3,(H,19,21)(H,22,23)
• InChIKey: SPFBLJHDTDMXAU-UHFFFAOYSA-N
• XLogP: 28.56
• TPSA: 476.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2362.73
LogP ≤ 5	28.56
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 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.Cn1cnc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)c1.Cn1nc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cc1-c1ccccc1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccco1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cnn(-c2ccccc2)c1.

What is the InChIKey of 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?

The InChIKey is SPFBLJHDTDMXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3S.C22H16ClN3O3S.C21H14ClN3O3S.C18H17N3O3S.C17H11ClO4S.C16H12ClN3O3S/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;1-26-18(14-5-3-2-4-6-14)11-17(25-26)20(27)24-21-19(22(28)29)16(12-30-21)13-7-9-15(23)10-8-13;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;1-10-4-6-12(7-5-10)13-9-25-17(15(13)18(23)24)19-16(22)14-8-11(2)21(3)20-14;18-11-5-3-10(4-6-11)12-9-23-15(16(12)17(20)21)8-13(19)14-2-1-7-22-14;1-20-6-12(18-8-20)14(21)19-15-13(16(22)23)11(7-24-15)9-2-4-10(17)5-3-9/h2-10,12-13H,11H2,1H3,(H,28,29);2-12H,1H3,(H,24,27)(H,28,29);1-12H,(H,24,26)(H,27,28);4-9H,1-3H3,(H,19,22)(H,23,24);1-7,9H,8H2,(H,20,21);2-8H,1H3,(H,19,21)(H,22,23).

What are the key properties of 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?

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 has a molecular weight of 2362.73 g/mol, XLogP of 28.56, 29 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160898630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).