N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C28H23ClFNO4S — CID 72544310

IUPACN-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccc(Cl)c3)c(Oc3ccccc3F)c2)cc1
InChIInChI=1S/C28H23ClFNO4S/c1-2-36(33,34)23-13-10-19(11-14-23)16-28(32)31-22-12-15-24(20-6-5-7-21(29)17-20)27(18-22)35-26-9-4-3-8-25(26)30/h3-15,17-18H,2,16H2,1H3,(H,31,32)
InChIKeyGBOXQDXFAYYGTR-UHFFFAOYSA-N
MW524.01 g/mol
LogP6.91
Rot. Bonds8

About N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 72544310) has the molecular formula C28H23ClFNO4S and a molecular weight of 524.01 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID72544310
Molecular FormulaC28H23ClFNO4S
Molecular Weight524.01 g/mol
Exact Mass523.10
IUPAC NameN-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccc(Cl)c3)c(Oc3ccccc3F)c2)cc1
InChIInChI=1S/C28H23ClFNO4S/c1-2-36(33,34)23-13-10-19(11-14-23)16-28(32)31-22-12-15-24(20-6-5-7-21(29)17-20)27(18-22)35-26-9-4-3-8-25(26)30/h3-15,17-18H,2,16H2,1H3,(H,31,32)
InChIKeyGBOXQDXFAYYGTR-UHFFFAOYSA-N
XLogP6.91
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.01
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide 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

N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72545950
2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]acetamide
CID 72548784
N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71284005
N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72544314
N-[4-(3-chlorophenyl)-3-(2-cyanophenoxy)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123794161
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
N-[3-(3-chlorophenoxy)-4-(3,4-difluorophenyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123750729
2-(4-ethylsulfonylphenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 72548310
N-[4-(2-butoxyphenyl)-3-chlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71289987
N-[4-[2-(difluoromethoxy)phenyl]-3,5-difluorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285710
2-(4-ethylsulfonylphenyl)-N-[2-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71283853
N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72543770

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 72544310) is N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccc(Cl)c3)c(Oc3ccccc3F)c2)cc1.
What is the InChIKey of N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is GBOXQDXFAYYGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClFNO4S/c1-2-36(33,34)23-13-10-19(11-14-23)16-28(32)31-22-12-15-24(20-6-5-7-21(29)17-20)27(18-22)35-26-9-4-3-8-25(26)30/h3-15,17-18H,2,16H2,1H3,(H,31,32).
What are the key properties of N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 524.01 g/mol, XLogP of 6.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 72544310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).