(2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide

C29H34N2O4S — CID 25309887

About (2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide

(2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 25309887) has the molecular formula C29H34N2O4S and a molecular weight of 506.67 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

• Compound Name: (2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
• PubChem CID: 25309887
• Molecular Formula: C29H34N2O4S
• Molecular Weight: 506.67 g/mol
• Exact Mass: 506.22
• IUPAC Name: (2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
• SMILES: COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)c1OC
• InChI: InChI=1S/C29H34N2O4S/c1-20-11-7-8-16-24(20)31(26(32)19-22-14-10-18-36-22)27(29(33)30-21-12-5-4-6-13-21)23-15-9-17-25(34-2)28(23)35-3/h7-11,14-18,21,27H,4-6,12-13,19H2,1-3H3,(H,30,33)/t27-/m0/s1
• InChIKey: RHEKEBNXUWKBPZ-MHZLTWQESA-N
• XLogP: 5.84
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.67
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?

The IUPAC name of (2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 25309887) is (2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide.

What is the SMILES notation for (2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?

The canonical SMILES for (2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide is COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)c1OC.

What is the InChIKey of (2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?

The InChIKey is RHEKEBNXUWKBPZ-MHZLTWQESA-N. The full InChI is InChI=1S/C29H34N2O4S/c1-20-11-7-8-16-24(20)31(26(32)19-22-14-10-18-36-22)27(29(33)30-21-12-5-4-6-13-21)23-15-9-17-25(34-2)28(23)35-3/h7-11,14-18,21,27H,4-6,12-13,19H2,1-3H3,(H,30,33)/t27-/m0/s1.

What are the key properties of (2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?

(2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 506.67 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 25309887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).