2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid

C150H106Cl9N15O26S8 — CID 162243797

About 2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid

2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid (PubChem CID 162243797) has the molecular formula C150H106Cl9N15O26S8 and a molecular weight of 3110.19 g/mol. Its IUPAC name is 2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid
• PubChem CID: 162243797
• Molecular Formula: C150H106Cl9N15O26S8
• Molecular Weight: 3110.19 g/mol
• Exact Mass: 3103.24
• IUPAC Name: 2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid
• SMILES: COc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)c(OC)n1.Cc1ccc(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)nn1.Cc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)c(Cl)n1.Cc1cnc(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.Cc1cnc(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)nc1.Cc1ncc(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ncc(-c2ccccc2)cn1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1
• InChI: InChI=1S/C23H15ClN2O3S.C19H15ClN2O5S.C18H12Cl2N2O3S.4C18H13ClN2O3S.C18H12ClNO3S/c24-17-8-6-15(7-9-17)18-13-30-20(21(18)23(28)29)10-19(27)22-25-11-16(12-26-22)14-4-2-1-3-5-14;1-26-14-8-7-12(17(21-14)27-2)16(23)22-18-15(19(24)25)13(9-28-18)10-3-5-11(20)6-4-10;1-9-2-7-12(15(20)21-9)16(23)22-17-14(18(24)25)13(8-26-17)10-3-5-11(19)6-4-10;1-10-2-7-14(21-20-10)15(22)8-16-17(18(23)24)13(9-25-16)11-3-5-12(19)6-4-11;1-10-20-7-12(8-21-10)15(22)6-16-17(18(23)24)14(9-25-16)11-2-4-13(19)5-3-11;1-10-7-21-14(8-20-10)15(22)6-16-17(18(23)24)13(9-25-16)11-2-4-12(19)5-3-11;1-10-7-20-17(21-8-10)14(22)6-15-16(18(23)24)13(9-25-15)11-2-4-12(19)5-3-11;19-13-8-6-11(7-9-13)14-10-24-17(15(14)18(22)23)20-16(21)12-4-2-1-3-5-12/h1-9,11-13H,10H2,(H,28,29);3-9H,1-2H3,(H,22,23)(H,24,25);2-8H,1H3,(H,22,23)(H,24,25);2-7,9H,8H2,1H3,(H,23,24);3*2-5,7-9H,6H2,1H3,(H,23,24);1-10H,(H,20,21)(H,22,23)
• InChIKey: ZXBCFWAASDXEPM-UHFFFAOYSA-N
• XLogP: 37.64
• TPSA: 644.19 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 40
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3110.19
LogP ≤ 5	37.64
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid?

The IUPAC name of 2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid (CID 162243797) is 2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid.

What is the SMILES notation for 2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid?

The canonical SMILES for 2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid is COc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)c(OC)n1.Cc1ccc(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)nn1.Cc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)O)c(Cl)n1.Cc1cnc(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.Cc1cnc(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)nc1.Cc1ncc(C(=O)Cc2scc(-c3ccc(Cl)cc3)c2C(=O)O)cn1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ncc(-c2ccccc2)cn1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1.

What is the InChIKey of 2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid?

The InChIKey is ZXBCFWAASDXEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O3S.C19H15ClN2O5S.C18H12Cl2N2O3S.4C18H13ClN2O3S.C18H12ClNO3S/c24-17-8-6-15(7-9-17)18-13-30-20(21(18)23(28)29)10-19(27)22-25-11-16(12-26-22)14-4-2-1-3-5-14;1-26-14-8-7-12(17(21-14)27-2)16(23)22-18-15(19(24)25)13(9-28-18)10-3-5-11(20)6-4-10;1-9-2-7-12(15(20)21-9)16(23)22-17-14(18(24)25)13(8-26-17)10-3-5-11(19)6-4-10;1-10-2-7-14(21-20-10)15(22)8-16-17(18(23)24)13(9-25-16)11-3-5-12(19)6-4-11;1-10-20-7-12(8-21-10)15(22)6-16-17(18(23)24)14(9-25-16)11-2-4-13(19)5-3-11;1-10-7-21-14(8-20-10)15(22)6-16-17(18(23)24)13(9-25-16)11-2-4-12(19)5-3-11;1-10-7-20-17(21-8-10)14(22)6-15-16(18(23)24)13(9-25-15)11-2-4-12(19)5-3-11;19-13-8-6-11(7-9-13)14-10-24-17(15(14)18(22)23)20-16(21)12-4-2-1-3-5-12/h1-9,11-13H,10H2,(H,28,29);3-9H,1-2H3,(H,22,23)(H,24,25);2-8H,1H3,(H,22,23)(H,24,25);2-7,9H,8H2,1H3,(H,23,24);3*2-5,7-9H,6H2,1H3,(H,23,24);1-10H,(H,20,21)(H,22,23).

What are the key properties of 2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid?

2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid has a molecular weight of 3110.19 g/mol, XLogP of 37.64, 40 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzamido-4-(4-chlorophenyl)thiophene-3-carboxylic acid;2-[(2-chloro-6-methylpyridine-3-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(2,6-dimethoxypyridine-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrazin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(6-methylpyridazin-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 162243797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).