4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid

C17H17NO5S — CID 166295819

About 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid

4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 166295819) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid
• PubChem CID: 166295819
• Molecular Formula: C17H17NO5S
• Molecular Weight: 347.39 g/mol
• Exact Mass: 347.08
• IUPAC Name: 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid
• SMILES: CCOc1cc2c(cc1NC(=O)c1csc(C(=O)O)c1)OC(C)C2
• InChI: InChI=1S/C17H17NO5S/c1-3-22-14-5-10-4-9(2)23-13(10)7-12(14)18-16(19)11-6-15(17(20)21)24-8-11/h5-9H,3-4H2,1-2H3,(H,18,19)(H,20,21)
• InChIKey: CLBVMWVPDIKBJR-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 84.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.39
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid?

The IUPAC name of 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid (CID 166295819) is 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid.

What is the SMILES notation for 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid?

The canonical SMILES for 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid is CCOc1cc2c(cc1NC(=O)c1csc(C(=O)O)c1)OC(C)C2.

What is the InChIKey of 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid?

The InChIKey is CLBVMWVPDIKBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-3-22-14-5-10-4-9(2)23-13(10)7-12(14)18-16(19)11-6-15(17(20)21)24-8-11/h5-9H,3-4H2,1-2H3,(H,18,19)(H,20,21).

What are the key properties of 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid?

4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 347.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 166295819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).