3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide

C20H21N3O3S — CID 55771311

IUPAC3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H21N3O3S/c24-20(22-10-5-12-23-13-11-21-16-23)18-7-4-6-17(14-18)15-27(25,26)19-8-2-1-3-9-19/h1-4,6-9,11,13-14,16H,5,10,12,15H2,(H,22,24)
InChIKeyINOZJLJFNYBIIK-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.68
Rot. Bonds8

About 3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide

3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 55771311) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID55771311
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H21N3O3S/c24-20(22-10-5-12-23-13-11-21-16-23)18-7-4-6-17(14-18)15-27(25,26)19-8-2-1-3-9-19/h1-4,6-9,11,13-14,16H,5,10,12,15H2,(H,22,24)
InChIKeyINOZJLJFNYBIIK-UHFFFAOYSA-N
XLogP2.68
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide 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

3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
N-(3-imidazol-1-ylpropyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38103746
N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 77097246
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513232
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 7905794
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53314248
N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide
CID 52992825
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513286

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide (CID 55771311) is 3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide is O=C(NCCCn1ccnc1)c1cccc(CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is INOZJLJFNYBIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-20(22-10-5-12-23-13-11-21-16-23)18-7-4-6-17(14-18)15-27(25,26)19-8-2-1-3-9-19/h1-4,6-9,11,13-14,16H,5,10,12,15H2,(H,22,24).
What are the key properties of 3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide?
3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 383.47 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 55771311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).