2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide

C28H27N3O3S — CID 16595013

About 2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide

2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 16595013) has the molecular formula C28H27N3O3S and a molecular weight of 485.61 g/mol. Its IUPAC name is 2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

• Compound Name: 2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
• PubChem CID: 16595013
• Molecular Formula: C28H27N3O3S
• Molecular Weight: 485.61 g/mol
• Exact Mass: 485.18
• IUPAC Name: 2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
• SMILES: CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cs1
• InChI: InChI=1S/C28H27N3O3S/c1-3-34-25-16-10-8-14-23(25)28-30-21(18-35-28)17-26(32)31-24-15-9-7-13-22(24)27(33)29-19(2)20-11-5-4-6-12-20/h4-16,18-19H,3,17H2,1-2H3,(H,29,33)(H,31,32)
• InChIKey: PDYGETJPHGVMMN-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.61
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide?

The IUPAC name of 2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 16595013) is 2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide.

What is the SMILES notation for 2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide?

The canonical SMILES for 2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide is CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cs1.

What is the InChIKey of 2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide?

The InChIKey is PDYGETJPHGVMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3S/c1-3-34-25-16-10-8-14-23(25)28-30-21(18-35-28)17-26(32)31-24-15-9-7-13-22(24)27(33)29-19(2)20-11-5-4-6-12-20/h4-16,18-19H,3,17H2,1-2H3,(H,29,33)(H,31,32).

What are the key properties of 2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide?

2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 485.61 g/mol, XLogP of 5.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 16595013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).