N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide

C26H29N3O3S — CID 3745052

About N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide

N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide (PubChem CID 3745052) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
• PubChem CID: 3745052
• Molecular Formula: C26H29N3O3S
• Molecular Weight: 463.60 g/mol
• Exact Mass: 463.19
• IUPAC Name: N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
• SMILES: COc1cccc(CN(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)c1
• InChI: InChI=1S/C26H29N3O3S/c1-32-22-9-4-6-19(16-22)18-29(24(30)17-23-10-5-15-33-23)25(20-11-13-27-14-12-20)26(31)28-21-7-2-3-8-21/h4-6,9-16,21,25H,2-3,7-8,17-18H2,1H3,(H,28,31)
• InChIKey: RMHYIEYPOGIYEY-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.60
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide?

The IUPAC name of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide (CID 3745052) is N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide.

What is the SMILES notation for N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide?

The canonical SMILES for N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide is COc1cccc(CN(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)c1.

What is the InChIKey of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide?

The InChIKey is RMHYIEYPOGIYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-32-22-9-4-6-19(16-22)18-29(24(30)17-23-10-5-15-33-23)25(20-11-13-27-14-12-20)26(31)28-21-7-2-3-8-21/h4-6,9-16,21,25H,2-3,7-8,17-18H2,1H3,(H,28,31).

What are the key properties of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide?

N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide has a molecular weight of 463.60 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3745052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).