4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide

C17H16F3N3O3S — CID 55881940

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (PubChem CID 55881940) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.

Molecular Properties

• Compound Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
• PubChem CID: 55881940
• Molecular Formula: C17H16F3N3O3S
• Molecular Weight: 399.39 g/mol
• Exact Mass: 399.09
• IUPAC Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
• SMILES: O=C(CCC(=O)N1CCc2sccc2C1)Nc1cc(C(F)(F)F)c[nH]c1=O
• InChI: InChI=1S/C17H16F3N3O3S/c18-17(19,20)11-7-12(16(26)21-8-11)22-14(24)1-2-15(25)23-5-3-13-10(9-23)4-6-27-13/h4,6-8H,1-3,5,9H2,(H,21,26)(H,22,24)
• InChIKey: AUNSQJQXVWWATO-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 82.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.39
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?

The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide (CID 55881940) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide.

What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?

The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is O=C(CCC(=O)N1CCc2sccc2C1)Nc1cc(C(F)(F)F)c[nH]c1=O.

What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?

The InChIKey is AUNSQJQXVWWATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c18-17(19,20)11-7-12(16(26)21-8-11)22-14(24)1-2-15(25)23-5-3-13-10(9-23)4-6-27-13/h4,6-8H,1-3,5,9H2,(H,21,26)(H,22,24).

What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide?

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide has a molecular weight of 399.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide is sourced from PubChem (CID 55881940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).