2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid

C154H97F7N20O34S8 — CID 161081489

About 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid

2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid (PubChem CID 161081489) has the molecular formula C154H97F7N20O34S8 and a molecular weight of 3161.10 g/mol. Its IUPAC name is 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid
• PubChem CID: 161081489
• Molecular Formula: C154H97F7N20O34S8
• Molecular Weight: 3161.10 g/mol
• Exact Mass: 3158.41
• IUPAC Name: 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid
• SMILES: COc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.COc1cnc(-c2csc(NC(=O)c3nc4ccccc4o3)c2C(=O)O)cn1.Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.Cc1ncc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)c(C)n1.O=C(Nc1scc(-c2ccc(F)nc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2ccc(F)nc2F)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2ccnc(F)c2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2cnc(C(F)(F)F)nc2)c1C(=O)O)c1cc2ccccc2o1
• InChI: InChI=1S/C20H15N3O4S.C20H14N2O5S.C20H14N2O4S.C19H10F3N3O4S.C19H10F2N2O4S.2C19H11FN2O4S.C18H12N4O5S/c1-10-13(8-21-11(2)22-10)14-9-28-19(17(14)20(25)26)23-18(24)16-7-12-5-3-4-6-15(12)27-16;1-26-16-7-6-12(9-21-16)13-10-28-19(17(13)20(24)25)22-18(23)15-8-11-4-2-3-5-14(11)27-15;1-11-6-7-13(9-21-11)14-10-27-19(17(14)20(24)25)22-18(23)16-8-12-4-2-3-5-15(12)26-16;20-19(21,22)18-23-6-10(7-24-18)11-8-30-16(14(11)17(27)28)25-15(26)13-5-9-3-1-2-4-12(9)29-13;20-14-6-5-10(16(21)22-14)11-8-28-18(15(11)19(25)26)23-17(24)13-7-9-3-1-2-4-12(9)27-13;20-15-8-10(5-6-21-15)12-9-27-18(16(12)19(24)25)22-17(23)14-7-11-3-1-2-4-13(11)26-14;20-15-6-5-11(8-21-15)12-9-27-18(16(12)19(24)25)22-17(23)14-7-10-3-1-2-4-13(10)26-14;1-26-13-7-19-11(6-20-13)9-8-28-17(14(9)18(24)25)22-15(23)16-21-10-4-2-3-5-12(10)27-16/h3-9H,1-2H3,(H,23,24)(H,25,26);2-10H,1H3,(H,22,23)(H,24,25);2-10H,1H3,(H,22,23)(H,24,25);1-8H,(H,25,26)(H,27,28);1-8H,(H,23,24)(H,25,26);2*1-9H,(H,22,23)(H,24,25);2-8H,1H3,(H,22,23)(H,24,25)
• InChIKey: UFYXMGJIRRSROY-UHFFFAOYSA-N
• XLogP: 36.15
• TPSA: 809.46 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 46
• Rotatable Bonds: 34
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3161.10
LogP ≤ 5	36.15
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid?

The IUPAC name of 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid (CID 161081489) is 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid.

What is the SMILES notation for 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid?

The canonical SMILES for 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid is COc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.COc1cnc(-c2csc(NC(=O)c3nc4ccccc4o3)c2C(=O)O)cn1.Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.Cc1ncc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)c(C)n1.O=C(Nc1scc(-c2ccc(F)nc2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2ccc(F)nc2F)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2ccnc(F)c2)c1C(=O)O)c1cc2ccccc2o1.O=C(Nc1scc(-c2cnc(C(F)(F)F)nc2)c1C(=O)O)c1cc2ccccc2o1.

What is the InChIKey of 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid?

The InChIKey is UFYXMGJIRRSROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S.C20H14N2O5S.C20H14N2O4S.C19H10F3N3O4S.C19H10F2N2O4S.2C19H11FN2O4S.C18H12N4O5S/c1-10-13(8-21-11(2)22-10)14-9-28-19(17(14)20(25)26)23-18(24)16-7-12-5-3-4-6-15(12)27-16;1-26-16-7-6-12(9-21-16)13-10-28-19(17(13)20(24)25)22-18(23)15-8-11-4-2-3-5-14(11)27-15;1-11-6-7-13(9-21-11)14-10-27-19(17(14)20(24)25)22-18(23)16-8-12-4-2-3-5-15(12)26-16;20-19(21,22)18-23-6-10(7-24-18)11-8-30-16(14(11)17(27)28)25-15(26)13-5-9-3-1-2-4-12(9)29-13;20-14-6-5-10(16(21)22-14)11-8-28-18(15(11)19(25)26)23-17(24)13-7-9-3-1-2-4-12(9)27-13;20-15-8-10(5-6-21-15)12-9-27-18(16(12)19(24)25)22-17(23)14-7-11-3-1-2-4-13(11)26-14;20-15-6-5-11(8-21-15)12-9-27-18(16(12)19(24)25)22-17(23)14-7-10-3-1-2-4-13(10)26-14;1-26-13-7-19-11(6-20-13)9-8-28-17(14(9)18(24)25)22-15(23)16-21-10-4-2-3-5-12(10)27-16/h3-9H,1-2H3,(H,23,24)(H,25,26);2-10H,1H3,(H,22,23)(H,24,25);2-10H,1H3,(H,22,23)(H,24,25);1-8H,(H,25,26)(H,27,28);1-8H,(H,23,24)(H,25,26);2*1-9H,(H,22,23)(H,24,25);2-8H,1H3,(H,22,23)(H,24,25).

What are the key properties of 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid?

2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid has a molecular weight of 3161.10 g/mol, XLogP of 36.15, 34 rotatable bonds, 16 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-carbonylamino)-4-(2,6-difluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2,4-dimethylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-fluoro-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid;2-(1-benzofuran-2-carbonylamino)-4-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 161081489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).