2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

C28H28N2O3S — CID 18836361

About 2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 18836361) has the molecular formula C28H28N2O3S and a molecular weight of 472.61 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 18836361
• Molecular Formula: C28H28N2O3S
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.18
• IUPAC Name: 2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(C)c1ccc(Cc2cnc(NC(=O)COc3ccc(OCc4ccccc4)cc3)s2)cc1
• InChI: InChI=1S/C28H28N2O3S/c1-20(2)23-10-8-21(9-11-23)16-26-17-29-28(34-26)30-27(31)19-33-25-14-12-24(13-15-25)32-18-22-6-4-3-5-7-22/h3-15,17,20H,16,18-19H2,1-2H3,(H,29,30,31)
• InChIKey: KRBHQPHIMWQGTD-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 18836361) is 2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is CC(C)c1ccc(Cc2cnc(NC(=O)COc3ccc(OCc4ccccc4)cc3)s2)cc1.

What is the InChIKey of 2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is KRBHQPHIMWQGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3S/c1-20(2)23-10-8-21(9-11-23)16-26-17-29-28(34-26)30-27(31)19-33-25-14-12-24(13-15-25)32-18-22-6-4-3-5-7-22/h3-15,17,20H,16,18-19H2,1-2H3,(H,29,30,31).

What are the key properties of 2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 472.61 g/mol, XLogP of 6.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 18836361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).