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

C25H23FN4O3S — CID 46764281

IUPAC4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C25H23FN4O3S/c1-34(32,33)30(17-21-4-2-3-5-24(21)26)23-12-8-20(9-13-23)25(31)28-16-19-6-10-22(11-7-19)29-15-14-27-18-29/h2-15,18H,16-17H2,1H3,(H,28,31)
InChIKeyMCJSAPJGPAWAGY-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.91
Rot. Bonds8

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

4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide (PubChem CID 46764281) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
PubChem CID46764281
Molecular FormulaC25H23FN4O3S
Molecular Weight478.55 g/mol
Exact Mass478.15
IUPAC Name4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C25H23FN4O3S/c1-34(32,33)30(17-21-4-2-3-5-24(21)26)23-12-8-20(9-13-23)25(31)28-16-19-6-10-22(11-7-19)29-15-14-27-18-29/h2-15,18H,16-17H2,1H3,(H,28,31)
InChIKeyMCJSAPJGPAWAGY-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

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Related Compounds

4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 30394400
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767762
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 1210836
4-[benzyl(methylsulfonyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43908963
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287117
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30274087
2-(4-fluoro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]butanamide
CID 43909207
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 46772726
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 92678156
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287059

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide (CID 46764281) is 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide is CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide?
The InChIKey is MCJSAPJGPAWAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c1-34(32,33)30(17-21-4-2-3-5-24(21)26)23-12-8-20(9-13-23)25(31)28-16-19-6-10-22(11-7-19)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-[(4-imidazol-1-ylphenyl)methyl]benzamide?
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-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-[(4-imidazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 46764281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).