2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide

C26H24FN3O3S — CID 71289984

IUPAC2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3F)c(-c3ccnn3C)c2)cc1
InChIInChI=1S/C26H24FN3O3S/c1-3-34(32,33)20-11-8-18(9-12-20)16-26(31)29-19-10-13-21(22-6-4-5-7-24(22)27)23(17-19)25-14-15-28-30(25)2/h4-15,17H,3,16H2,1-2H3,(H,29,31)
InChIKeyQKEIZBMVHCAQAZ-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.87
Rot. Bonds7

About 2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide (PubChem CID 71289984) has the molecular formula C26H24FN3O3S and a molecular weight of 477.56 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide
PubChem CID71289984
Molecular FormulaC26H24FN3O3S
Molecular Weight477.56 g/mol
Exact Mass477.15
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3F)c(-c3ccnn3C)c2)cc1
InChIInChI=1S/C26H24FN3O3S/c1-3-34(32,33)20-11-8-18(9-12-20)16-26(31)29-19-10-13-21(22-6-4-5-7-24(22)27)23(17-19)25-14-15-28-30(25)2/h4-15,17H,3,16H2,1-2H3,(H,29,31)
InChIKeyQKEIZBMVHCAQAZ-UHFFFAOYSA-N
XLogP4.87
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide 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 2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide (CID 71289984) is 2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3F)c(-c3ccnn3C)c2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide?
The InChIKey is QKEIZBMVHCAQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3S/c1-3-34(32,33)20-11-8-18(9-12-20)16-26(31)29-19-10-13-21(22-6-4-5-7-24(22)27)23(17-19)25-14-15-28-30(25)2/h4-15,17H,3,16H2,1-2H3,(H,29,31).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide has a molecular weight of 477.56 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 71289984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).