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

C19H20N4O3S — CID 4086896

IUPACN-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H20N4O3S/c24-19(21-11-4-13-23-14-12-20-15-23)16-7-9-18(10-8-16)27(25,26)22-17-5-2-1-3-6-17/h1-3,5-10,12,14-15,22H,4,11,13H2,(H,21,24)
InChIKeyQZYXALGFGOGFGD-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.50
Rot. Bonds8

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

N-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide (PubChem CID 4086896) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide
PubChem CID4086896
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H20N4O3S/c24-19(21-11-4-13-23-14-12-20-15-23)16-7-9-18(10-8-16)27(25,26)22-17-5-2-1-3-6-17/h1-3,5-10,12,14-15,22H,4,11,13H2,(H,21,24)
InChIKeyQZYXALGFGOGFGD-UHFFFAOYSA-N
XLogP2.50
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide 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 N-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide (CID 4086896) is N-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide is O=C(NCCCn1ccnc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide?
The InChIKey is QZYXALGFGOGFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c24-19(21-11-4-13-23-14-12-20-15-23)16-7-9-18(10-8-16)27(25,26)22-17-5-2-1-3-6-17/h1-3,5-10,12,14-15,22H,4,11,13H2,(H,21,24).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide?
N-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide has a molecular weight of 384.46 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 4086896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).