3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide

C21H20N2O3S2 — CID 8941093

About 3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide

3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 8941093) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide
• PubChem CID: 8941093
• Molecular Formula: C21H20N2O3S2
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.09
• IUPAC Name: 3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide
• SMILES: CCOCc1c(C(=O)NCc2ccc(-c3csc(C)n3)s2)oc2ccccc12
• InChI: InChI=1S/C21H20N2O3S2/c1-3-25-11-16-15-6-4-5-7-18(15)26-20(16)21(24)22-10-14-8-9-19(28-14)17-12-27-13(2)23-17/h4-9,12H,3,10-11H2,1-2H3,(H,22,24)
• InChIKey: IYIXEJPKOOXDQI-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 8941093) is 3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide is CCOCc1c(C(=O)NCc2ccc(-c3csc(C)n3)s2)oc2ccccc12.

What is the InChIKey of 3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide?

The InChIKey is IYIXEJPKOOXDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c1-3-25-11-16-15-6-4-5-7-18(15)26-20(16)21(24)22-10-14-8-9-19(28-14)17-12-27-13(2)23-17/h4-9,12H,3,10-11H2,1-2H3,(H,22,24).

What are the key properties of 3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide?

3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8941093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).