2-(1-benzofuran-2-carbonylamino)-4-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid

C97H68N14O22S5 — CID 158568695

About 2-(1-benzofuran-2-carbonylamino)-4-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-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-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid (PubChem CID 158568695) has the molecular formula C97H68N14O22S5 and a molecular weight of 1942.02 g/mol. Its IUPAC name is 2-(1-benzofuran-2-carbonylamino)-4-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-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-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid
• PubChem CID: 158568695
• Molecular Formula: C97H68N14O22S5
• Molecular Weight: 1942.02 g/mol
• Exact Mass: 1940.32
• IUPAC Name: 2-(1-benzofuran-2-carbonylamino)-4-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-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.Cc1cnc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)c(C)n1.Cc1ncc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1
• InChI: InChI=1S/C20H15N3O4S.C20H14N2O5S.C20H14N2O4S.C19H13N3O4S.C18H12N4O5S/c1-10-8-21-17(11(2)22-10)13-9-28-19(16(13)20(25)26)23-18(24)15-7-12-5-3-4-6-14(12)27-15;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;1-10-20-7-12(8-21-10)13-9-27-18(16(13)19(24)25)22-17(23)15-6-11-4-2-3-5-14(11)26-15;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);2-9H,1H3,(H,22,23)(H,24,25);2-8H,1H3,(H,22,23)(H,24,25)
• InChIKey: HRUQUMUAIFZAAM-UHFFFAOYSA-N
• XLogP: 21.36
• TPSA: 532.17 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1942.02
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-carbonylamino)-4-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-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-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid (CID 158568695) is 2-(1-benzofuran-2-carbonylamino)-4-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-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-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-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-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-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.Cc1cnc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)c(C)n1.Cc1ncc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.

What is the InChIKey of 2-(1-benzofuran-2-carbonylamino)-4-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-5-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(5-methoxypyrazin-2-yl)thiophene-3-carboxylic acid?

The InChIKey is HRUQUMUAIFZAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S.C20H14N2O5S.C20H14N2O4S.C19H13N3O4S.C18H12N4O5S/c1-10-8-21-17(11(2)22-10)13-9-28-19(16(13)20(25)26)23-18(24)15-7-12-5-3-4-6-14(12)27-15;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;1-10-20-7-12(8-21-10)13-9-27-18(16(13)19(24)25)22-17(23)15-6-11-4-2-3-5-14(11)26-15;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);2-9H,1H3,(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-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-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-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-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 1942.02 g/mol, XLogP of 21.36, 22 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-carbonylamino)-4-(3,5-dimethylpyrazin-2-yl)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-methylpyrimidin-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 158568695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).