6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide

C28H27FN4O5S — CID 123781471

IUPAC6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide
SMILESCCc1cc2c(C(N)=O)c(Cc3ccc(F)cc3)oc2nc1N(CCCOc1ccccc1C#N)S(C)(=O)=O
InChIInChI=1S/C28H27FN4O5S/c1-3-19-16-22-25(26(31)34)24(15-18-9-11-21(29)12-10-18)38-28(22)32-27(19)33(39(2,35)36)13-6-14-37-23-8-5-4-7-20(23)17-30/h4-5,7-12,16H,3,6,13-15H2,1-2H3,(H2,31,34)
InChIKeyYAOHXECPFNHTDA-UHFFFAOYSA-N
MW550.61 g/mol
LogP4.33
Rot. Bonds11

About 6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide

6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 123781471) has the molecular formula C28H27FN4O5S and a molecular weight of 550.61 g/mol. Its IUPAC name is 6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide
PubChem CID123781471
Molecular FormulaC28H27FN4O5S
Molecular Weight550.61 g/mol
Exact Mass550.17
IUPAC Name6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide
SMILESCCc1cc2c(C(N)=O)c(Cc3ccc(F)cc3)oc2nc1N(CCCOc1ccccc1C#N)S(C)(=O)=O
InChIInChI=1S/C28H27FN4O5S/c1-3-19-16-22-25(26(31)34)24(15-18-9-11-21(29)12-10-18)38-28(22)32-27(19)33(39(2,35)36)13-6-14-37-23-8-5-4-7-20(23)17-30/h4-5,7-12,16H,3,6,13-15H2,1-2H3,(H2,31,34)
InChIKeyYAOHXECPFNHTDA-UHFFFAOYSA-N
XLogP4.33
TPSA139.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.61
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123790068
5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 58052351
5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123694688
2-(4-fluorophenyl)-5-(iodomethyl)-6-[methylsulfonyl(4-methylsulfonylbutyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123526694
6-[[5-(dimethylamino)-5-oxopentyl]-methylsulfonylamino]-5-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 54575746
6-[but-3-enyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-(iodomethyl)furo[2,3-b]pyridine-3-carboxamide
CID 123670297
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[methylsulfonyl-[3-(1-oxothiazinan-2-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 129202685
5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123781630
carbamoyl 2-(4-fluorophenyl)-5-iodo-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxylate
CID 123342774
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
CID 88899409
2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640
5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123370387

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide (CID 123781471) is 6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide is CCc1cc2c(C(N)=O)c(Cc3ccc(F)cc3)oc2nc1N(CCCOc1ccccc1C#N)S(C)(=O)=O.
What is the InChIKey of 6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is YAOHXECPFNHTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O5S/c1-3-19-16-22-25(26(31)34)24(15-18-9-11-21(29)12-10-18)38-28(22)32-27(19)33(39(2,35)36)13-6-14-37-23-8-5-4-7-20(23)17-30/h4-5,7-12,16H,3,6,13-15H2,1-2H3,(H2,31,34).
What are the key properties of 6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide?
6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 550.61 g/mol, XLogP of 4.33, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 123781471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).