(2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide

C28H32N2O5S — CID 1168246

About (2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide

(2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide (PubChem CID 1168246) has the molecular formula C28H32N2O5S and a molecular weight of 508.64 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
• PubChem CID: 1168246
• Molecular Formula: C28H32N2O5S
• Molecular Weight: 508.64 g/mol
• Exact Mass: 508.20
• IUPAC Name: (2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
• SMILES: COc1cc(OC)cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1
• InChI: InChI=1S/C28H32N2O5S/c1-34-23-15-21(16-24(17-23)35-2)30(26(32)18-25-9-6-14-36-25)27(19-10-12-22(31)13-11-19)28(33)29-20-7-4-3-5-8-20/h6,9-17,20,27,31H,3-5,7-8,18H2,1-2H3,(H,29,33)/t27-/m1/s1
• InChIKey: ZYXSQNQNODPNKR-HHHXNRCGSA-N
• XLogP: 5.24
• TPSA: 88.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.64
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide?

The IUPAC name of (2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide (CID 1168246) is (2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide.

What is the SMILES notation for (2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide?

The canonical SMILES for (2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide is COc1cc(OC)cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1.

What is the InChIKey of (2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide?

The InChIKey is ZYXSQNQNODPNKR-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H32N2O5S/c1-34-23-15-21(16-24(17-23)35-2)30(26(32)18-25-9-6-14-36-25)27(19-10-12-22(31)13-11-19)28(33)29-20-7-4-3-5-8-20/h6,9-17,20,27,31H,3-5,7-8,18H2,1-2H3,(H,29,33)/t27-/m1/s1.

What are the key properties of (2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide?

(2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide has a molecular weight of 508.64 g/mol, XLogP of 5.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 1168246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).