2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C19H20F2N2OS2 — CID 9001869

About 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 9001869) has the molecular formula C19H20F2N2OS2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
• PubChem CID: 9001869
• Molecular Formula: C19H20F2N2OS2
• Molecular Weight: 394.51 g/mol
• Exact Mass: 394.10
• IUPAC Name: 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
• SMILES: O=C(CN1CCc2sccc2[C@H]1C1CC1)Nc1ccc(SC(F)F)cc1
• InChI: InChI=1S/C19H20F2N2OS2/c20-19(21)26-14-5-3-13(4-6-14)22-17(24)11-23-9-7-16-15(8-10-25-16)18(23)12-1-2-12/h3-6,8,10,12,18-19H,1-2,7,9,11H2,(H,22,24)/t18-/m1/s1
• InChIKey: KSUNSJAAFQLXKH-GOSISDBHSA-N
• XLogP: 5.01
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.51
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?

The IUPAC name of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 9001869) is 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

What is the SMILES notation for 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?

The canonical SMILES for 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is O=C(CN1CCc2sccc2[C@H]1C1CC1)Nc1ccc(SC(F)F)cc1.

What is the InChIKey of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?

The InChIKey is KSUNSJAAFQLXKH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20F2N2OS2/c20-19(21)26-14-5-3-13(4-6-14)22-17(24)11-23-9-7-16-15(8-10-25-16)18(23)12-1-2-12/h3-6,8,10,12,18-19H,1-2,7,9,11H2,(H,22,24)/t18-/m1/s1.

What are the key properties of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?

2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 394.51 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 9001869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).