N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide

C24H20FN3O3S — CID 15987990

IUPACN-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FN3O3S/c1-17-7-13-21(14-8-17)28-15-22(18-5-3-2-4-6-18)27-24(28)32(30,31)16-23(29)26-20-11-9-19(25)10-12-20/h2-15H,16H2,1H3,(H,26,29)
InChIKeyZLQDNRJXGKRXQC-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.40
Rot. Bonds6

About N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide

N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide (PubChem CID 15987990) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide
PubChem CID15987990
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC NameN-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FN3O3S/c1-17-7-13-21(14-8-17)28-15-22(18-5-3-2-4-6-18)27-24(28)32(30,31)16-23(29)26-20-11-9-19(25)10-12-20/h2-15H,16H2,1H3,(H,26,29)
InChIKeyZLQDNRJXGKRXQC-UHFFFAOYSA-N
XLogP4.40
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide (CID 15987990) is N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide is Cc1ccc(-n2cc(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide?
The InChIKey is ZLQDNRJXGKRXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c1-17-7-13-21(14-8-17)28-15-22(18-5-3-2-4-6-18)27-24(28)32(30,31)16-23(29)26-20-11-9-19(25)10-12-20/h2-15H,16H2,1H3,(H,26,29).
What are the key properties of N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide?
N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide has a molecular weight of 449.51 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfonylacetamide is sourced from PubChem (CID 15987990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).