2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide

C27H35N3O2S — CID 3191154

About 2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide

2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide (PubChem CID 3191154) has the molecular formula C27H35N3O2S and a molecular weight of 465.66 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide
• PubChem CID: 3191154
• Molecular Formula: C27H35N3O2S
• Molecular Weight: 465.66 g/mol
• Exact Mass: 465.24
• IUPAC Name: 2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide
• SMILES: O=C(NC1CCCCC1)C(c1ccccn1)N(CCC1=CCCCC1)C(=O)Cc1cccs1
• InChI: InChI=1S/C27H35N3O2S/c31-25(20-23-14-9-19-33-23)30(18-16-21-10-3-1-4-11-21)26(24-15-7-8-17-28-24)27(32)29-22-12-5-2-6-13-22/h7-10,14-15,17,19,22,26H,1-6,11-13,16,18,20H2,(H,29,32)
• InChIKey: REPVPWXJBQSJQY-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.66
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide?

The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide (CID 3191154) is 2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide.

What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide?

The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide is O=C(NC1CCCCC1)C(c1ccccn1)N(CCC1=CCCCC1)C(=O)Cc1cccs1.

What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide?

The InChIKey is REPVPWXJBQSJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2S/c31-25(20-23-14-9-19-33-23)30(18-16-21-10-3-1-4-11-21)26(24-15-7-8-17-28-24)27(32)29-22-12-5-2-6-13-22/h7-10,14-15,17,19,22,26H,1-6,11-13,16,18,20H2,(H,29,32).

What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide?

2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide has a molecular weight of 465.66 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(cyclohexen-1-yl)ethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-2-ylacetamide is sourced from PubChem (CID 3191154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).