5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

C23H17ClN2O4S — CID 16562237

About 5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 16562237) has the molecular formula C23H17ClN2O4S and a molecular weight of 452.92 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 16562237
• Molecular Formula: C23H17ClN2O4S
• Molecular Weight: 452.92 g/mol
• Exact Mass: 452.06
• IUPAC Name: 5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)n2)cc1Cl
• InChI: InChI=1S/C23H17ClN2O4S/c1-13(27)14-3-5-15(6-4-14)19-9-10-21(30-19)22(28)26-23-25-18(12-31-23)16-7-8-20(29-2)17(24)11-16/h3-12H,1-2H3,(H,25,26,28)
• InChIKey: MBWXDRGELCPDAA-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 81.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.92
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of 5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 16562237) is 5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for 5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for 5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)n2)cc1Cl.

What is the InChIKey of 5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is MBWXDRGELCPDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4S/c1-13(27)14-3-5-15(6-4-14)19-9-10-21(30-19)22(28)26-23-25-18(12-31-23)16-7-8-20(29-2)17(24)11-16/h3-12H,1-2H3,(H,25,26,28).

What are the key properties of 5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?

5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-acetylphenyl)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 16562237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).