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

C24H28ClN3O4S — CID 122472675

IUPAC2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCCCCNS(=O)(=O)Cc1nc2oc(-c3ccc(Cl)cc3)c(C(=O)NC)c2cc1C1CC1
InChIInChI=1S/C24H28ClN3O4S/c1-3-4-5-12-27-33(30,31)14-20-18(15-6-7-15)13-19-21(23(29)26-2)22(32-24(19)28-20)16-8-10-17(25)11-9-16/h8-11,13,15,27H,3-7,12,14H2,1-2H3,(H,26,29)
InChIKeyGYMXRDJVVNTDGY-UHFFFAOYSA-N
MW490.03 g/mol
LogP4.99
Rot. Bonds10

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

2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 122472675) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID122472675
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC Name2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCCCCNS(=O)(=O)Cc1nc2oc(-c3ccc(Cl)cc3)c(C(=O)NC)c2cc1C1CC1
InChIInChI=1S/C24H28ClN3O4S/c1-3-4-5-12-27-33(30,31)14-20-18(15-6-7-15)13-19-21(23(29)26-2)22(32-24(19)28-20)16-8-10-17(25)11-9-16/h8-11,13,15,27H,3-7,12,14H2,1-2H3,(H,26,29)
InChIKeyGYMXRDJVVNTDGY-UHFFFAOYSA-N
XLogP4.99
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide (CID 122472675) is 2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide is CCCCCNS(=O)(=O)Cc1nc2oc(-c3ccc(Cl)cc3)c(C(=O)NC)c2cc1C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is GYMXRDJVVNTDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-3-4-5-12-27-33(30,31)14-20-18(15-6-7-15)13-19-21(23(29)26-2)22(32-24(19)28-20)16-8-10-17(25)11-9-16/h8-11,13,15,27H,3-7,12,14H2,1-2H3,(H,26,29).
What are the key properties of 2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide?
2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 490.03 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 122472675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).