2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide

C23H28IN3O4S — CID 71065838

IUPAC2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCCCCNS(=O)(=O)Cc1nc2oc(-c3ccc(CC)cc3)c(C(=O)NC)c2cc1I
InChIInChI=1S/C23H28IN3O4S/c1-4-6-7-12-26-32(29,30)14-19-18(24)13-17-20(22(28)25-3)21(31-23(17)27-19)16-10-8-15(5-2)9-11-16/h8-11,13,26H,4-7,12,14H2,1-3H3,(H,25,28)
InChIKeyVFMNYYGCRNGDBG-UHFFFAOYSA-N
MW569.47 g/mol
LogP4.63
Rot. Bonds10

About 2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide

2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 71065838) has the molecular formula C23H28IN3O4S and a molecular weight of 569.47 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID71065838
Molecular FormulaC23H28IN3O4S
Molecular Weight569.47 g/mol
Exact Mass569.08
IUPAC Name2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCCCCNS(=O)(=O)Cc1nc2oc(-c3ccc(CC)cc3)c(C(=O)NC)c2cc1I
InChIInChI=1S/C23H28IN3O4S/c1-4-6-7-12-26-32(29,30)14-19-18(24)13-17-20(22(28)25-3)21(31-23(17)27-19)16-10-8-15(5-2)9-11-16/h8-11,13,26H,4-7,12,14H2,1-3H3,(H,25,28)
InChIKeyVFMNYYGCRNGDBG-UHFFFAOYSA-N
XLogP4.63
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.47
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 122472614
6-[4-[ethoxy(methyl)phosphoryl]butylsulfamoylmethyl]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 66664428
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 122472652
ethyl 3-hydroxy-6-[[5-iodo-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]methylsulfonylamino]-2,2-dimethylhexanoate
CID 66664141
2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 122472675
2-(4-ethylphenyl)-5-iodo-3-(methylcarbamoyl)-6-[[pentyl(sulfinato)amino]methyl]furo[2,3-b]pyridine
CID 71065839
5-[[5-cyclopropyl-2-(4-ethylphenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-6-yl]methylsulfonylamino]-2-(2-methoxyethyl)-2-methylpentanoic acid
CID 66663731
6-[4-[ethoxy(methyl)phosphoryl]butyl-methylsulfonylamino]-2-(4-ethylphenyl)-5-iodo-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 58052454
2-(4-ethylphenyl)-6-[[5-[hydroxy(methyl)phosphoryl]pentyl-sulfinoamino]methyl]-5-iodo-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 66663488
6-[5-[ethyl(methyl)phosphoryl]oxypentyl-methylsulfonylamino]-2-(4-ethylphenyl)-5-iodo-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 123176740
6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 129202728
5-cyclopropyl-2-(4-ethylphenyl)-6-[[hexyl(sulfinato)amino]methyl]-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 122472615

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide (CID 71065838) is 2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide is CCCCCNS(=O)(=O)Cc1nc2oc(-c3ccc(CC)cc3)c(C(=O)NC)c2cc1I.
What is the InChIKey of 2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is VFMNYYGCRNGDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28IN3O4S/c1-4-6-7-12-26-32(29,30)14-19-18(24)13-17-20(22(28)25-3)21(31-23(17)27-19)16-10-8-15(5-2)9-11-16/h8-11,13,26H,4-7,12,14H2,1-3H3,(H,25,28).
What are the key properties of 2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide?
2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 569.47 g/mol, XLogP of 4.63, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 71065838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).