N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide

C20H18ClFN2OS2 — CID 55482541

About N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide

N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide (PubChem CID 55482541) has the molecular formula C20H18ClFN2OS2 and a molecular weight of 420.96 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide.

Molecular Properties

• Compound Name: N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
• PubChem CID: 55482541
• Molecular Formula: C20H18ClFN2OS2
• Molecular Weight: 420.96 g/mol
• Exact Mass: 420.05
• IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
• SMILES: O=C(CCN1CCc2sccc2C1c1cccs1)Nc1ccc(Cl)cc1F
• InChI: InChI=1S/C20H18ClFN2OS2/c21-13-3-4-16(15(22)12-13)23-19(25)6-9-24-8-5-17-14(7-11-27-17)20(24)18-2-1-10-26-18/h1-4,7,10-12,20H,5-6,8-9H2,(H,23,25)
• InChIKey: GNNIVPOPTOZDGK-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.96
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?

The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide (CID 55482541) is N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide.

What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?

The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide is O=C(CCN1CCc2sccc2C1c1cccs1)Nc1ccc(Cl)cc1F.

What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?

The InChIKey is GNNIVPOPTOZDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2OS2/c21-13-3-4-16(15(22)12-13)23-19(25)6-9-24-8-5-17-14(7-11-27-17)20(24)18-2-1-10-26-18/h1-4,7,10-12,20H,5-6,8-9H2,(H,23,25).

What are the key properties of N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?

N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide has a molecular weight of 420.96 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide is sourced from PubChem (CID 55482541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).