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

C23H20ClFN2O2S — CID 67358697

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

N-(2-chlorophenyl)-4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide (PubChem CID 67358697) has the molecular formula C23H20ClFN2O2S and a molecular weight of 442.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
• PubChem CID: 67358697
• Molecular Formula: C23H20ClFN2O2S
• Molecular Weight: 442.94 g/mol
• Exact Mass: 442.09
• IUPAC Name: N-(2-chlorophenyl)-4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
• SMILES: O=C(CCC(=O)N1CCc2sccc2C1c1cccc(F)c1)Nc1ccccc1Cl
• InChI: InChI=1S/C23H20ClFN2O2S/c24-18-6-1-2-7-19(18)26-21(28)8-9-22(29)27-12-10-20-17(11-13-30-20)23(27)15-4-3-5-16(25)14-15/h1-7,11,13-14,23H,8-10,12H2,(H,26,28)
• InChIKey: XNIQPAKQGXZCSU-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.94
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(2-chlorophenyl)-4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide (CID 67358697) is N-(2-chlorophenyl)-4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide.

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

The canonical SMILES for N-(2-chlorophenyl)-4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide is O=C(CCC(=O)N1CCc2sccc2C1c1cccc(F)c1)Nc1ccccc1Cl.

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

The InChIKey is XNIQPAKQGXZCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O2S/c24-18-6-1-2-7-19(18)26-21(28)8-9-22(29)27-12-10-20-17(11-13-30-20)23(27)15-4-3-5-16(25)14-15/h1-7,11,13-14,23H,8-10,12H2,(H,26,28).

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

N-(2-chlorophenyl)-4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide has a molecular weight of 442.94 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide is sourced from PubChem (CID 67358697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).