5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide

C17H20N4O4S — CID 91950519

IUPAC5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2oc(C(=O)NCCCn3ccnc3)cc2c1
InChIInChI=1S/C17H20N4O4S/c1-20(2)26(23,24)14-4-5-15-13(10-14)11-16(25-15)17(22)19-6-3-8-21-9-7-18-12-21/h4-5,7,9-12H,3,6,8H2,1-2H3,(H,19,22)
InChIKeyKVKXLWTYIKRBKF-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.70
Rot. Bonds7

About 5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide

5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 91950519) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide
PubChem CID91950519
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2oc(C(=O)NCCCn3ccnc3)cc2c1
InChIInChI=1S/C17H20N4O4S/c1-20(2)26(23,24)14-4-5-15-13(10-14)11-16(25-15)17(22)19-6-3-8-21-9-7-18-12-21/h4-5,7,9-12H,3,6,8H2,1-2H3,(H,19,22)
InChIKeyKVKXLWTYIKRBKF-UHFFFAOYSA-N
XLogP1.70
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-imidazol-1-ylpropyl)-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 16906929
5-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)-1-benzofuran-2-carboxamide
CID 91950507
3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 26143583
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
5-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 78780901
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 55960779
N-(3-imidazol-1-ylpropyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 6493669
3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 26144970
5-(tert-butylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 51155817
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
N-(3-imidazol-1-ylpropyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 3505589

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide (CID 91950519) is 5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide is CN(C)S(=O)(=O)c1ccc2oc(C(=O)NCCCn3ccnc3)cc2c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is KVKXLWTYIKRBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-20(2)26(23,24)14-4-5-15-13(10-14)11-16(25-15)17(22)19-6-3-8-21-9-7-18-12-21/h4-5,7,9-12H,3,6,8H2,1-2H3,(H,19,22).
What are the key properties of 5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide?
5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91950519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).