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

C28H24ClNO4S — CID 72545950

IUPACN-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccc(Cl)c3)c(Oc3ccccc3)c2)cc1
InChIInChI=1S/C28H24ClNO4S/c1-2-35(32,33)25-14-11-20(12-15-25)17-28(31)30-23-13-16-26(21-7-6-8-22(29)18-21)27(19-23)34-24-9-4-3-5-10-24/h3-16,18-19H,2,17H2,1H3,(H,30,31)
InChIKeyKHRUFIYJUFJEGV-UHFFFAOYSA-N
MW506.02 g/mol
LogP6.77
Rot. Bonds8

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

N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 72545950) has the molecular formula C28H24ClNO4S and a molecular weight of 506.02 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID72545950
Molecular FormulaC28H24ClNO4S
Molecular Weight506.02 g/mol
Exact Mass505.11
IUPAC NameN-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccc(Cl)c3)c(Oc3ccccc3)c2)cc1
InChIInChI=1S/C28H24ClNO4S/c1-2-35(32,33)25-14-11-20(12-15-25)17-28(31)30-23-13-16-26(21-7-6-8-22(29)18-21)27(19-23)34-24-9-4-3-5-10-24/h3-16,18-19H,2,17H2,1H3,(H,30,31)
InChIKeyKHRUFIYJUFJEGV-UHFFFAOYSA-N
XLogP6.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.02
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72544310
2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]acetamide
CID 72548784
2-(4-ethylsulfonylphenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 72548310
2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide
CID 123858744
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
N-[3-(3-chlorophenoxy)-4-(3,4-difluorophenyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123750729
N-[3-(3,4-difluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72544314
N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 78320018
N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71284005
N-[4-(3-chlorophenyl)-3-(2-cyanophenoxy)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123794161
N-[4-(3-fluorophenyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72543770
N-[3-(3-cyanophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(methylsulfamoyl)phenyl]acetamide
CID 72544539

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 72545950) is N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cccc(Cl)c3)c(Oc3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is KHRUFIYJUFJEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClNO4S/c1-2-35(32,33)25-14-11-20(12-15-25)17-28(31)30-23-13-16-26(21-7-6-8-22(29)18-21)27(19-23)34-24-9-4-3-5-10-24/h3-16,18-19H,2,17H2,1H3,(H,30,31).
What are the key properties of N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 506.02 g/mol, XLogP of 6.77, 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-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 72545950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).