2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid

C23H15NO6S — CID 58295563

About 2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid

2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid (PubChem CID 58295563) has the molecular formula C23H15NO6S and a molecular weight of 433.44 g/mol. Its IUPAC name is 2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid
• PubChem CID: 58295563
• Molecular Formula: C23H15NO6S
• Molecular Weight: 433.44 g/mol
• Exact Mass: 433.06
• IUPAC Name: 2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid
• SMILES: COc1cccc2cc(-c3csc(NC(=O)c4cc5ccccc5o4)c3C(=O)O)oc12
• InChI: InChI=1S/C23H15NO6S/c1-28-16-8-4-6-13-10-17(30-20(13)16)14-11-31-22(19(14)23(26)27)24-21(25)18-9-12-5-2-3-7-15(12)29-18/h2-11H,1H3,(H,24,25)(H,26,27)
• InChIKey: WAZBPTDKOFAUFL-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 101.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.44
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid?

The IUPAC name of 2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid (CID 58295563) is 2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid.

What is the SMILES notation for 2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid?

The canonical SMILES for 2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid is COc1cccc2cc(-c3csc(NC(=O)c4cc5ccccc5o4)c3C(=O)O)oc12.

What is the InChIKey of 2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid?

The InChIKey is WAZBPTDKOFAUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO6S/c1-28-16-8-4-6-13-10-17(30-20(13)16)14-11-31-22(19(14)23(26)27)24-21(25)18-9-12-5-2-3-7-15(12)29-18/h2-11H,1H3,(H,24,25)(H,26,27).

What are the key properties of 2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid?

2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid has a molecular weight of 433.44 g/mol, XLogP of 5.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 58295563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).