3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide

C28H38N2O3S — CID 3920775

About 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide

3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide (PubChem CID 3920775) has the molecular formula C28H38N2O3S and a molecular weight of 482.69 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide
• PubChem CID: 3920775
• Molecular Formula: C28H38N2O3S
• Molecular Weight: 482.69 g/mol
• Exact Mass: 482.26
• IUPAC Name: 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide
• SMILES: COc1ccc(C2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)CCC2CCCC2)cc1
• InChI: InChI=1S/C28H38N2O3S/c1-20(2)18-29(26(31)13-8-21-6-4-5-7-21)19-27(32)30-16-14-25-24(15-17-34-25)28(30)22-9-11-23(33-3)12-10-22/h9-12,15,17,20-21,28H,4-8,13-14,16,18-19H2,1-3H3
• InChIKey: FILYSELPCGROJJ-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.69
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide?

The IUPAC name of 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide (CID 3920775) is 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide.

What is the SMILES notation for 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide?

The canonical SMILES for 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide is COc1ccc(C2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)CCC2CCCC2)cc1.

What is the InChIKey of 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide?

The InChIKey is FILYSELPCGROJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3S/c1-20(2)18-29(26(31)13-8-21-6-4-5-7-21)19-27(32)30-16-14-25-24(15-17-34-25)28(30)22-9-11-23(33-3)12-10-22/h9-12,15,17,20-21,28H,4-8,13-14,16,18-19H2,1-3H3.

What are the key properties of 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide?

3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide has a molecular weight of 482.69 g/mol, XLogP of 5.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 3920775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).