2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide

C22H20N2O3S — CID 7930621

About 2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide

2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide (PubChem CID 7930621) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide.

Molecular Properties

• Compound Name: 2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
• PubChem CID: 7930621
• Molecular Formula: C22H20N2O3S
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.12
• IUPAC Name: 2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
• SMILES: COc1ccc2c(CC(=O)/N=c3/sccn3Cc3ccc(C)cc3)coc2c1
• InChI: InChI=1S/C22H20N2O3S/c1-15-3-5-16(6-4-15)13-24-9-10-28-22(24)23-21(25)11-17-14-27-20-12-18(26-2)7-8-19(17)20/h3-10,12,14H,11,13H2,1-2H3/b23-22+
• InChIKey: RMJILCLCQKOKKR-GHVJWSGMSA-N
• XLogP: 4.33
• TPSA: 56.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?

The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide (CID 7930621) is 2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide.

What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?

The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide is COc1ccc2c(CC(=O)/N=c3/sccn3Cc3ccc(C)cc3)coc2c1.

What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?

The InChIKey is RMJILCLCQKOKKR-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-15-3-5-16(6-4-15)13-24-9-10-28-22(24)23-21(25)11-17-14-27-20-12-18(26-2)7-8-19(17)20/h3-10,12,14H,11,13H2,1-2H3/b23-22+.

What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?

2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide has a molecular weight of 392.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methoxy-1-benzofuran-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide is sourced from PubChem (CID 7930621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).