6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide

C19H20IN3O4S — CID 129202728

IUPAC6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCN(c1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1I)S(C)(=O)=O
InChIInChI=1S/C19H20IN3O4S/c1-5-23(28(4,25)26)17-14(20)10-13-15(18(24)21-3)16(27-19(13)22-17)12-8-6-11(2)7-9-12/h6-10H,5H2,1-4H3,(H,21,24)
InChIKeyCYQVBVBRSVYYHL-UHFFFAOYSA-N
MW513.36 g/mol
LogP3.55
Rot. Bonds5

About 6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide

6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 129202728) has the molecular formula C19H20IN3O4S and a molecular weight of 513.36 g/mol. Its IUPAC name is 6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID129202728
Molecular FormulaC19H20IN3O4S
Molecular Weight513.36 g/mol
Exact Mass513.02
IUPAC Name6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCN(c1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1I)S(C)(=O)=O
InChIInChI=1S/C19H20IN3O4S/c1-5-23(28(4,25)26)17-14(20)10-13-15(18(24)21-3)16(27-19(13)22-17)12-8-6-11(2)7-9-12/h6-10H,5H2,1-4H3,(H,21,24)
InChIKeyCYQVBVBRSVYYHL-UHFFFAOYSA-N
XLogP3.55
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[ethoxy(methyl)phosphoryl]butyl-methylsulfonylamino]-2-(4-ethylphenyl)-5-iodo-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 58052454
6-[5-[ethyl(methyl)phosphoryl]oxypentyl-methylsulfonylamino]-2-(4-ethylphenyl)-5-iodo-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 123176740
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
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-[4-[ethoxy(methyl)phosphoryl]butylsulfamoylmethyl]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 66664428
6-[5-aminopentyl(methylsulfonyl)amino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 54575944
2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 66663625
ethyl 6-[[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]-2-methylsulfonylhexanoate
CID 58052450
6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)-5-phenyl-1-benzofuran-3-carboxamide
CID 162243728
2-(4-chlorophenyl)-5-iodo-3-(methylcarbamoyl)-6-[5-methylsulfonylpentyl(sulfino)amino]furo[2,3-b]pyridine
CID 122472600
4-[[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]butyl-ethoxy-hydroxy-methylphosphanium
CID 123536144

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide (CID 129202728) is 6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide is CCN(c1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1I)S(C)(=O)=O.
What is the InChIKey of 6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is CYQVBVBRSVYYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O4S/c1-5-23(28(4,25)26)17-14(20)10-13-15(18(24)21-3)16(27-19(13)22-17)12-8-6-11(2)7-9-12/h6-10H,5H2,1-4H3,(H,21,24).
What are the key properties of 6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide?
6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 513.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methylsulfonyl)amino]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 129202728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).