N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide

C29H34N2O4S — CID 3184904

About N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide

N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3184904) has the molecular formula C29H34N2O4S and a molecular weight of 506.67 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
• PubChem CID: 3184904
• Molecular Formula: C29H34N2O4S
• Molecular Weight: 506.67 g/mol
• Exact Mass: 506.22
• IUPAC Name: N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
• SMILES: COc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)Cc2cccs2)cc1
• InChI: InChI=1S/C29H34N2O4S/c1-34-24-16-14-21(15-17-24)28(29(33)30-23-10-4-3-5-11-23)31(27(32)19-25-12-8-18-36-25)20-22-9-6-7-13-26(22)35-2/h6-9,12-18,23,28H,3-5,10-11,19-20H2,1-2H3,(H,30,33)
• InChIKey: ACCSAJZRWRDUMR-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.67
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3184904) is N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide.

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

The canonical SMILES for N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide is COc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccccc2OC)C(=O)Cc2cccs2)cc1.

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

The InChIKey is ACCSAJZRWRDUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4S/c1-34-24-16-14-21(15-17-24)28(29(33)30-23-10-4-3-5-11-23)31(27(32)19-25-12-8-18-36-25)20-22-9-6-7-13-26(22)35-2/h6-9,12-18,23,28H,3-5,10-11,19-20H2,1-2H3,(H,30,33).

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

N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 506.67 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3184904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).