5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide

C27H28FN3O5S — CID 123841555

IUPAC5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide
SMILESCCc1cc2c(C(N)=O)c(-c3ccc(F)cc3)oc2nc1CNS(=O)(=O)CCCc1ccc(OC)cc1
InChIInChI=1S/C27H28FN3O5S/c1-3-18-15-22-24(26(29)32)25(19-8-10-20(28)11-9-19)36-27(22)31-23(18)16-30-37(33,34)14-4-5-17-6-12-21(35-2)13-7-17/h6-13,15,30H,3-5,14,16H2,1-2H3,(H2,29,32)
InChIKeyXXWIPGPLHWDXBB-UHFFFAOYSA-N
MW525.60 g/mol
LogP4.36
Rot. Bonds11

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

5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 123841555) has the molecular formula C27H28FN3O5S and a molecular weight of 525.60 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide
PubChem CID123841555
Molecular FormulaC27H28FN3O5S
Molecular Weight525.60 g/mol
Exact Mass525.17
IUPAC Name5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide
SMILESCCc1cc2c(C(N)=O)c(-c3ccc(F)cc3)oc2nc1CNS(=O)(=O)CCCc1ccc(OC)cc1
InChIInChI=1S/C27H28FN3O5S/c1-3-18-15-22-24(26(29)32)25(19-8-10-20(28)11-9-19)36-27(22)31-23(18)16-30-37(33,34)14-4-5-17-6-12-21(35-2)13-7-17/h6-13,15,30H,3-5,14,16H2,1-2H3,(H2,29,32)
InChIKeyXXWIPGPLHWDXBB-UHFFFAOYSA-N
XLogP4.36
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.60
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123781630
6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide
CID 123825132
5-ethyl-2-(4-fluorophenyl)-6-[[2-(7-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethyl-methylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide
CID 123295458
2-(4-fluorophenyl)-5-(iodomethyl)-6-[methylsulfonyl(4-methylsulfonylbutyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123526694
4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid
CID 66663684
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
CID 66663109
5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 58052351
6-[[3-carboxypropyl(sulfinato)amino]methyl]-5-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 122472669
2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 71065838
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518502
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-(2-oxopyrrolidin-1-yl)butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
CID 66663875
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide (CID 123841555) is 5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide is CCc1cc2c(C(N)=O)c(-c3ccc(F)cc3)oc2nc1CNS(=O)(=O)CCCc1ccc(OC)cc1.
What is the InChIKey of 5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is XXWIPGPLHWDXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O5S/c1-3-18-15-22-24(26(29)32)25(19-8-10-20(28)11-9-19)36-27(22)31-23(18)16-30-37(33,34)14-4-5-17-6-12-21(35-2)13-7-17/h6-13,15,30H,3-5,14,16H2,1-2H3,(H2,29,32).
What are the key properties of 5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide?
5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 525.60 g/mol, XLogP of 4.36, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 123841555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).