N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide

C26H26Cl2N2O3S — CID 3961243

About N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide

N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide (PubChem CID 3961243) has the molecular formula C26H26Cl2N2O3S and a molecular weight of 517.48 g/mol. Its IUPAC name is N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
• PubChem CID: 3961243
• Molecular Formula: C26H26Cl2N2O3S
• Molecular Weight: 517.48 g/mol
• Exact Mass: 516.10
• IUPAC Name: N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
• SMILES: O=C(C1CCCC1)N(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1Cl)Cc1ccco1
• InChI: InChI=1S/C26H26Cl2N2O3S/c27-18-7-8-20(22(28)14-18)25-21-10-13-34-23(21)9-11-30(25)24(31)16-29(15-19-6-3-12-33-19)26(32)17-4-1-2-5-17/h3,6-8,10,12-14,17,25H,1-2,4-5,9,11,15-16H2
• InChIKey: YFXRKCVGVCTHIH-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 53.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.48
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide?

The IUPAC name of N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide (CID 3961243) is N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide.

What is the SMILES notation for N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide?

The canonical SMILES for N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide is O=C(C1CCCC1)N(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1Cl)Cc1ccco1.

What is the InChIKey of N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide?

The InChIKey is YFXRKCVGVCTHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2O3S/c27-18-7-8-20(22(28)14-18)25-21-10-13-34-23(21)9-11-30(25)24(31)16-29(15-19-6-3-12-33-19)26(32)17-4-1-2-5-17/h3,6-8,10,12-14,17,25H,1-2,4-5,9,11,15-16H2.

What are the key properties of N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide?

N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide has a molecular weight of 517.48 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 3961243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).