3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide

C19H14F2N2O3S2 — CID 86900283

About 3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide

3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 86900283) has the molecular formula C19H14F2N2O3S2 and a molecular weight of 420.46 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide
• PubChem CID: 86900283
• Molecular Formula: C19H14F2N2O3S2
• Molecular Weight: 420.46 g/mol
• Exact Mass: 420.04
• IUPAC Name: 3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide
• SMILES: O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1sccc1SC(F)F
• InChI: InChI=1S/C19H14F2N2O3S2/c20-19(21)28-15-6-9-27-17(15)18(24)23-16-3-1-2-12(22-16)11-4-5-13-14(10-11)26-8-7-25-13/h1-6,9-10,19H,7-8H2,(H,22,23,24)
• InChIKey: GPHPDIPPZITOKW-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.46
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide?

The IUPAC name of 3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide (CID 86900283) is 3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide.

What is the SMILES notation for 3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide?

The canonical SMILES for 3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide is O=C(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1sccc1SC(F)F.

What is the InChIKey of 3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide?

The InChIKey is GPHPDIPPZITOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O3S2/c20-19(21)28-15-6-9-27-17(15)18(24)23-16-3-1-2-12(22-16)11-4-5-13-14(10-11)26-8-7-25-13/h1-6,9-10,19H,7-8H2,(H,22,23,24).

What are the key properties of 3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide?

3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 86900283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).