5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide

C24H28FN3O4S — CID 157183968

IUPAC5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESC=Cc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1N(CCCCCC)S(C)(=O)=O
InChIInChI=1S/C24H28FN3O4S/c1-5-7-8-9-14-28(33(4,30)31)22-16(6-2)15-19-20(23(29)26-3)21(32-24(19)27-22)17-10-12-18(25)13-11-17/h6,10-13,15H,2,5,7-9,14H2,1,3-4H3,(H,26,29)
InChIKeyAOWWHLARHIOGRU-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.98
Rot. Bonds10

About 5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide

5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide (PubChem CID 157183968) has the molecular formula C24H28FN3O4S and a molecular weight of 473.57 g/mol. Its IUPAC name is 5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
PubChem CID157183968
Molecular FormulaC24H28FN3O4S
Molecular Weight473.57 g/mol
Exact Mass473.18
IUPAC Name5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESC=Cc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1N(CCCCCC)S(C)(=O)=O
InChIInChI=1S/C24H28FN3O4S/c1-5-7-8-9-14-28(33(4,30)31)22-16(6-2)15-19-20(23(29)26-3)21(32-24(19)27-22)17-10-12-18(25)13-11-17/h6,10-13,15H,2,5,7-9,14H2,1,3-4H3,(H,26,29)
InChIKeyAOWWHLARHIOGRU-UHFFFAOYSA-N
XLogP4.98
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 58052351
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-(4-fluorophenyl)-N,5-dimethyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 123380976
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
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-[ethyl(methyl)phosphoryl]oxypentyl-methylsulfonylamino]-2-(4-ethylphenyl)-5-iodo-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 123176740
6-[5-aminopentyl(methylsulfonyl)amino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 54575944
6-[4-[ethoxy(methyl)phosphoryl]butyl-methylsulfonylamino]-2-(4-ethylphenyl)-5-iodo-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 58052454
6-[4-bromobutyl(methylsulfonyl)amino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 54575876
5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 54575941
6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 129202728

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide (CID 157183968) is 5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide is C=Cc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1N(CCCCCC)S(C)(=O)=O.
What is the InChIKey of 5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is AOWWHLARHIOGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4S/c1-5-7-8-9-14-28(33(4,30)31)22-16(6-2)15-19-20(23(29)26-3)21(32-24(19)27-22)17-10-12-18(25)13-11-17/h6,10-13,15H,2,5,7-9,14H2,1,3-4H3,(H,26,29).
What are the key properties of 5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide?
5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 473.57 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 157183968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).