2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide

C27H23FN2O4S — CID 72545209

IUPAC2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccnc3)c(Oc3cccc(F)c3)c2)cc1
InChIInChI=1S/C27H23FN2O4S/c1-2-35(32,33)24-11-8-19(9-12-24)15-27(31)30-22-10-13-25(20-5-4-14-29-18-20)26(17-22)34-23-7-3-6-21(28)16-23/h3-14,16-18H,2,15H2,1H3,(H,30,31)
InChIKeyYAKLTKBDSREORC-UHFFFAOYSA-N
MW490.56 g/mol
LogP5.65
Rot. Bonds8

About 2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide (PubChem CID 72545209) has the molecular formula C27H23FN2O4S and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide
PubChem CID72545209
Molecular FormulaC27H23FN2O4S
Molecular Weight490.56 g/mol
Exact Mass490.14
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccnc3)c(Oc3cccc(F)c3)c2)cc1
InChIInChI=1S/C27H23FN2O4S/c1-2-35(32,33)24-11-8-19(9-12-24)15-27(31)30-22-10-13-25(20-5-4-14-29-18-20)26(17-22)34-23-7-3-6-21(28)16-23/h3-14,16-18H,2,15H2,1H3,(H,30,31)
InChIKeyYAKLTKBDSREORC-UHFFFAOYSA-N
XLogP5.65
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]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-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide (CID 72545209) is 2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccnc3)c(Oc3cccc(F)c3)c2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide?
The InChIKey is YAKLTKBDSREORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O4S/c1-2-35(32,33)24-11-8-19(9-12-24)15-27(31)30-22-10-13-25(20-5-4-14-29-18-20)26(17-22)34-23-7-3-6-21(28)16-23/h3-14,16-18H,2,15H2,1H3,(H,30,31).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide has a molecular weight of 490.56 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyridin-3-ylphenyl]acetamide is sourced from PubChem (CID 72545209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).