2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide

C26H24N2O3S — CID 19197509

About 2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19197509) has the molecular formula C26H24N2O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 19197509
• Molecular Formula: C26H24N2O3S
• Molecular Weight: 444.56 g/mol
• Exact Mass: 444.15
• IUPAC Name: 2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide
• SMILES: CC(C)Oc1ccc(-c2csc(NC(=O)COc3ccccc3-c3ccccc3)n2)cc1
• InChI: InChI=1S/C26H24N2O3S/c1-18(2)31-21-14-12-20(13-15-21)23-17-32-26(27-23)28-25(29)16-30-24-11-7-6-10-22(24)19-8-4-3-5-9-19/h3-15,17-18H,16H2,1-2H3,(H,27,28,29)
• InChIKey: FOLOPOSQLIRQKJ-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.56
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 19197509) is 2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide is CC(C)Oc1ccc(-c2csc(NC(=O)COc3ccccc3-c3ccccc3)n2)cc1.

What is the InChIKey of 2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide?

The InChIKey is FOLOPOSQLIRQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S/c1-18(2)31-21-14-12-20(13-15-21)23-17-32-26(27-23)28-25(29)16-30-24-11-7-6-10-22(24)19-8-4-3-5-9-19/h3-15,17-18H,16H2,1-2H3,(H,27,28,29).

What are the key properties of 2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide?

2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 444.56 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19197509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).