5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide

C24H25FN4O4S2 — CID 66663372

About 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide

5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 66663372) has the molecular formula C24H25FN4O4S2 and a molecular weight of 516.62 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 66663372
• Molecular Formula: C24H25FN4O4S2
• Molecular Weight: 516.62 g/mol
• Exact Mass: 516.13
• IUPAC Name: 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
• SMILES: CCc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1NS(=O)(=O)CCCc1scnc1C
• InChI: InChI=1S/C24H25FN4O4S2/c1-4-15-12-18-20(23(30)26-3)21(16-7-9-17(25)10-8-16)33-24(18)28-22(15)29-35(31,32)11-5-6-19-14(2)27-13-34-19/h7-10,12-13H,4-6,11H2,1-3H3,(H,26,30)(H,28,29)
• InChIKey: FUGDBXWRUYMLMO-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 114.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.62
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide (CID 66663372) is 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide is CCc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1NS(=O)(=O)CCCc1scnc1C.

What is the InChIKey of 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is FUGDBXWRUYMLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4S2/c1-4-15-12-18-20(23(30)26-3)21(16-7-9-17(25)10-8-16)33-24(18)28-22(15)29-35(31,32)11-5-6-19-14(2)27-13-34-19/h7-10,12-13H,4-6,11H2,1-3H3,(H,26,30)(H,28,29).

What are the key properties of 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide?

5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 516.62 g/mol, XLogP of 4.70, 9 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-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 66663372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).