5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

C27H35N3O4S — CID 122472614

IUPAC5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCCCCCCNS(=O)(=O)Cc1nc2oc(-c3ccc(CC)cc3)c(C(=O)NC)c2cc1C1CC1
InChIInChI=1S/C27H35N3O4S/c1-4-6-7-8-15-29-35(32,33)17-23-21(19-13-14-19)16-22-24(26(31)28-3)25(34-27(22)30-23)20-11-9-18(5-2)10-12-20/h9-12,16,19,29H,4-8,13-15,17H2,1-3H3,(H,28,31)
InChIKeyMWZYIZQBESKGMK-UHFFFAOYSA-N
MW497.66 g/mol
LogP5.29
Rot. Bonds12

About 5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (PubChem CID 122472614) has the molecular formula C27H35N3O4S and a molecular weight of 497.66 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
PubChem CID122472614
Molecular FormulaC27H35N3O4S
Molecular Weight497.66 g/mol
Exact Mass497.23
IUPAC Name5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCCCCCCNS(=O)(=O)Cc1nc2oc(-c3ccc(CC)cc3)c(C(=O)NC)c2cc1C1CC1
InChIInChI=1S/C27H35N3O4S/c1-4-6-7-8-15-29-35(32,33)17-23-21(19-13-14-19)16-22-24(26(31)28-3)25(34-27(22)30-23)20-11-9-18(5-2)10-12-20/h9-12,16,19,29H,4-8,13-15,17H2,1-3H3,(H,28,31)
InChIKeyMWZYIZQBESKGMK-UHFFFAOYSA-N
XLogP5.29
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.66
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 122472652
2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 122472675
2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 71065838
5-[[5-cyclopropyl-2-(4-ethylphenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-6-yl]methylsulfonylamino]-2-(2-methoxyethyl)-2-methylpentanoic acid
CID 66663731
5-cyclopropyl-2-(4-ethylphenyl)-6-[[hexyl(sulfinato)amino]methyl]-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 122472615
5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine
CID 71065812
5-cyclopropyl-6-[[heptyl(sulfinato)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine
CID 71065817
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66664414
6-(6-bromohexylsulfonylamino)-5-cyclopropyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 66663498
6-[[(4-carboxy-4-methoxypentyl)-sulfinatoamino]methyl]-5-cyclopropyl-2-(4-ethylphenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 66663403
6-[[4-(4-carboxyoxyoxan-4-yl)butyl-sulfinoamino]methyl]-5-cyclopropyl-2-(4-ethylphenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 122472687
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-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (CID 122472614) is 5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is CCCCCCNS(=O)(=O)Cc1nc2oc(-c3ccc(CC)cc3)c(C(=O)NC)c2cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is MWZYIZQBESKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4S/c1-4-6-7-8-15-29-35(32,33)17-23-21(19-13-14-19)16-22-24(26(31)28-3)25(34-27(22)30-23)20-11-9-18(5-2)10-12-20/h9-12,16,19,29H,4-8,13-15,17H2,1-3H3,(H,28,31).
What are the key properties of 5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 497.66 g/mol, XLogP of 5.29, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 122472614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).