4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide

C17H24N4O3S — CID 4226557

IUPAC4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C17H24N4O3S/c1-3-21(4-2)25(23,24)16-8-6-15(7-9-16)17(22)19-10-5-12-20-13-11-18-14-20/h6-9,11,13-14H,3-5,10,12H2,1-2H3,(H,19,22)
InChIKeyAARFFLLQCNLKEZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.73
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide

4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 4226557) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID4226557
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C17H24N4O3S/c1-3-21(4-2)25(23,24)16-8-6-15(7-9-16)17(22)19-10-5-12-20-13-11-18-14-20/h6-9,11,13-14H,3-5,10,12H2,1-2H3,(H,19,22)
InChIKeyAARFFLLQCNLKEZ-UHFFFAOYSA-N
XLogP1.73
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide (CID 4226557) is 4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is AARFFLLQCNLKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-3-21(4-2)25(23,24)16-8-6-15(7-9-16)17(22)19-10-5-12-20-13-11-18-14-20/h6-9,11,13-14H,3-5,10,12H2,1-2H3,(H,19,22).
What are the key properties of 4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide?
4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 364.47 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 4226557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).