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

C21H17N3O3S — CID 7940721

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

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7940721) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
• PubChem CID: 7940721
• Molecular Formula: C21H17N3O3S
• Molecular Weight: 391.45 g/mol
• Exact Mass: 391.10
• IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
• SMILES: CC(=O)Nc1ccc(-c2csc(NC(=O)c3oc4ccccc4c3C)n2)cc1
• InChI: InChI=1S/C21H17N3O3S/c1-12-16-5-3-4-6-18(16)27-19(12)20(26)24-21-23-17(11-28-21)14-7-9-15(10-8-14)22-13(2)25/h3-11H,1-2H3,(H,22,25)(H,23,24,26)
• InChIKey: QSGRODMFIBXYCA-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.45
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide (CID 7940721) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide.

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

The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3oc4ccccc4c3C)n2)cc1.

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

The InChIKey is QSGRODMFIBXYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-12-16-5-3-4-6-18(16)27-19(12)20(26)24-21-23-17(11-28-21)14-7-9-15(10-8-14)22-13(2)25/h3-11H,1-2H3,(H,22,25)(H,23,24,26).

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

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7940721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).