5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide

C25H32FN3O6S2 — CID 66664255

About 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide

5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 66664255) has the molecular formula C25H32FN3O6S2 and a molecular weight of 553.68 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 66664255
• Molecular Formula: C25H32FN3O6S2
• Molecular Weight: 553.68 g/mol
• Exact Mass: 553.17
• IUPAC Name: 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
• SMILES: CCc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1NS(=O)(=O)CCCCCS(=O)(=O)C(C)C
• InChI: InChI=1S/C25H32FN3O6S2/c1-5-17-15-20-21(24(30)27-4)22(18-9-11-19(26)12-10-18)35-25(20)28-23(17)29-37(33,34)14-8-6-7-13-36(31,32)16(2)3/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,27,30)(H,28,29)
• InChIKey: ZSYLFGWARKCPCH-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 135.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.68
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide (CID 66664255) is 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide is CCc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1NS(=O)(=O)CCCCCS(=O)(=O)C(C)C.

What is the InChIKey of 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is ZSYLFGWARKCPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O6S2/c1-5-17-15-20-21(24(30)27-4)22(18-9-11-19(26)12-10-18)35-25(20)28-23(17)29-37(33,34)14-8-6-7-13-36(31,32)16(2)3/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,27,30)(H,28,29).

What are the key properties of 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide?

5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 553.68 g/mol, XLogP of 4.29, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 66664255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).