2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

C22H21ClN2O4S — CID 55538156

About 2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 55538156) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 55538156
• Molecular Formula: C22H21ClN2O4S
• Molecular Weight: 444.94 g/mol
• Exact Mass: 444.09
• IUPAC Name: 2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: COc1cc(C(C)=O)ccc1OCC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1
• InChI: InChI=1S/C22H21ClN2O4S/c1-13-4-5-15(9-18(13)23)8-17-11-24-22(30-17)25-21(27)12-29-19-7-6-16(14(2)26)10-20(19)28-3/h4-7,9-11H,8,12H2,1-3H3,(H,24,25,27)
• InChIKey: PYQNSJJSDHXMDA-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 77.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.94
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 55538156) is 2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1.

What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is PYQNSJJSDHXMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-13-4-5-15(9-18(13)23)8-17-11-24-22(30-17)25-21(27)12-29-19-7-6-16(14(2)26)10-20(19)28-3/h4-7,9-11H,8,12H2,1-3H3,(H,24,25,27).

What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 444.94 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55538156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).