5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide

C29H32FN3O6S — CID 58052351

IUPAC5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCCc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1N(CCCCOc1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C29H32FN3O6S/c1-5-19-18-22-25(28(34)31-2)26(20-12-14-21(30)15-13-20)39-29(22)32-27(19)33(40(4,35)36)16-8-9-17-38-24-11-7-6-10-23(24)37-3/h6-7,10-15,18H,5,8-9,16-17H2,1-4H3,(H,31,34)
InChIKeyUXCCYLFCEPXHAA-UHFFFAOYSA-N
MW569.66 g/mol
LogP5.19
Rot. Bonds12

About 5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide

5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide (PubChem CID 58052351) has the molecular formula C29H32FN3O6S and a molecular weight of 569.66 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
PubChem CID58052351
Molecular FormulaC29H32FN3O6S
Molecular Weight569.66 g/mol
Exact Mass569.20
IUPAC Name5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCCc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1N(CCCCOc1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C29H32FN3O6S/c1-5-19-18-22-25(28(34)31-2)26(20-12-14-21(30)15-13-20)39-29(22)32-27(19)33(40(4,35)36)16-8-9-17-38-24-11-7-6-10-23(24)37-3/h6-7,10-15,18H,5,8-9,16-17H2,1-4H3,(H,31,34)
InChIKeyUXCCYLFCEPXHAA-UHFFFAOYSA-N
XLogP5.19
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.66
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[5-(dimethylamino)-5-oxopentyl]-methylsulfonylamino]-5-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 54575746
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-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
5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 157183968
6-[5-[ethyl(methyl)phosphoryl]oxypentyl-methylsulfonylamino]-2-(4-ethylphenyl)-5-iodo-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 123176740
2-(4-fluorophenyl)-5-(iodomethyl)-6-[methylsulfonyl(4-methylsulfonylbutyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123526694
6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide
CID 123781471
5-[[5-cyclopropyl-2-[4-(2-fluorophenoxy)phenyl]-3-(methylcarbamoyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]pentanoic acid
CID 58052526
2-(4-fluorophenyl)-N,5-dimethyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 123380976
6-[4-[ethoxy(methyl)phosphoryl]butyl-methylsulfonylamino]-2-(4-ethylphenyl)-5-iodo-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 58052454
2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 54575257
6-[[5-cyclopropyl-2-(4-ethylphenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]-2-(methoxymethyl)hexanoic acid
CID 76679467

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide (CID 58052351) is 5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide is CCc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1N(CCCCOc1ccccc1OC)S(C)(=O)=O.
What is the InChIKey of 5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is UXCCYLFCEPXHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O6S/c1-5-19-18-22-25(28(34)31-2)26(20-12-14-21(30)15-13-20)39-29(22)32-27(19)33(40(4,35)36)16-8-9-17-38-24-11-7-6-10-23(24)37-3/h6-7,10-15,18H,5,8-9,16-17H2,1-4H3,(H,31,34).
What are the key properties of 5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide?
5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 569.66 g/mol, XLogP of 5.19, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 58052351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).