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

C29H34N2O4S — CID 1167840

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

(2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 1167840) has the molecular formula C29H34N2O4S and a molecular weight of 506.67 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
• PubChem CID: 1167840
• Molecular Formula: C29H34N2O4S
• Molecular Weight: 506.67 g/mol
• Exact Mass: 506.22
• IUPAC Name: (2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
• SMILES: COc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C29H34N2O4S/c1-34-24-14-10-21(11-15-24)20-31(27(32)19-26-9-6-18-36-26)28(22-12-16-25(35-2)17-13-22)29(33)30-23-7-4-3-5-8-23/h6,9-18,23,28H,3-5,7-8,19-20H2,1-2H3,(H,30,33)/t28-/m1/s1
• InChIKey: FFYLKRXXJXKGDK-MUUNZHRXSA-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 (2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide?

The IUPAC name of (2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 1167840) is (2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide.

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

The canonical SMILES for (2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide is COc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1.

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

The InChIKey is FFYLKRXXJXKGDK-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H34N2O4S/c1-34-24-14-10-21(11-15-24)20-31(27(32)19-26-9-6-18-36-26)28(22-12-16-25(35-2)17-13-22)29(33)30-23-7-4-3-5-8-23/h6,9-18,23,28H,3-5,7-8,19-20H2,1-2H3,(H,30,33)/t28-/m1/s1.

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

(2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-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 (2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 1167840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).