2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide

C28H34N2O4S — CID 3210926

About 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide

2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 3210926) has the molecular formula C28H34N2O4S and a molecular weight of 494.66 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 3210926
• Molecular Formula: C28H34N2O4S
• Molecular Weight: 494.66 g/mol
• Exact Mass: 494.22
• IUPAC Name: 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide
• SMILES: COCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccc(C(C)C)cc1
• InChI: InChI=1S/C28H34N2O4S/c1-20(2)22-9-11-23(12-10-22)27(28(32)29-19-21-7-13-24(34-4)14-8-21)30(15-16-33-3)26(31)18-25-6-5-17-35-25/h5-14,17,20,27H,15-16,18-19H2,1-4H3,(H,29,32)
• InChIKey: YGUJXWRSBKIISC-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.66
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide (CID 3210926) is 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide is COCCN(C(=O)Cc1cccs1)C(C(=O)NCc1ccc(OC)cc1)c1ccc(C(C)C)cc1.

What is the InChIKey of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide?

The InChIKey is YGUJXWRSBKIISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4S/c1-20(2)22-9-11-23(12-10-22)27(28(32)29-19-21-7-13-24(34-4)14-8-21)30(15-16-33-3)26(31)18-25-6-5-17-35-25/h5-14,17,20,27H,15-16,18-19H2,1-4H3,(H,29,32).

What are the key properties of 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide?

2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 494.66 g/mol, XLogP of 4.96, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 3210926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).