4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide

C25H23FN4O3S — CID 30394400

IUPAC4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1
InChIInChI=1S/C25H23FN4O3S/c1-34(32,33)30(17-21-7-2-4-8-23(21)26)22-12-10-19(11-13-22)25(31)28-16-20-6-3-5-9-24(20)29-15-14-27-18-29/h2-15,18H,16-17H2,1H3,(H,28,31)
InChIKeyNCTJUZBVYXOUGA-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.91
Rot. Bonds8

About 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide

4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide (PubChem CID 30394400) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
PubChem CID30394400
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC Name4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1
InChIInChI=1S/C25H23FN4O3S/c1-34(32,33)30(17-21-7-2-4-8-23(21)26)22-12-10-19(11-13-22)25(31)28-16-20-6-3-5-9-24(20)29-15-14-27-18-29/h2-15,18H,16-17H2,1H3,(H,28,31)
InChIKeyNCTJUZBVYXOUGA-UHFFFAOYSA-N
XLogP3.91
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]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

4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 46764281
4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 46772327
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 92671763
N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 92680681
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28578789
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767762
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 46773015
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92685437
3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide
CID 136578908
N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133163863
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 1210836
4-(2-fluorophenyl)sulfonyl-N-[(2-imidazol-1-ylphenyl)methyl]piperazine-1-carboxamide
CID 60580721

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide (CID 30394400) is 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide is CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?
The InChIKey is NCTJUZBVYXOUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c1-34(32,33)30(17-21-7-2-4-8-23(21)26)22-12-10-19(11-13-22)25(31)28-16-20-6-3-5-9-24(20)29-15-14-27-18-29/h2-15,18H,16-17H2,1H3,(H,28,31).
What are the key properties of 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide has a molecular weight of 478.55 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 30394400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).