N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide

C23H19ClF3NO4S — CID 71289939

IUPACN-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)ccc1-c1ccc(Cl)cc1OC(F)(F)F
InChIInChI=1S/C23H19ClF3NO4S/c1-14-11-17(28-22(29)12-15-3-7-18(8-4-15)33(2,30)31)6-10-19(14)20-9-5-16(24)13-21(20)32-23(25,26)27/h3-11,13H,12H2,1-2H3,(H,28,29)
InChIKeyMCLXSSCQIXWMBR-UHFFFAOYSA-N
MW497.92 g/mol
LogP5.80
Rot. Bonds6

About N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide

N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 71289939) has the molecular formula C23H19ClF3NO4S and a molecular weight of 497.92 g/mol. Its IUPAC name is N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide
PubChem CID71289939
Molecular FormulaC23H19ClF3NO4S
Molecular Weight497.92 g/mol
Exact Mass497.07
IUPAC NameN-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)ccc1-c1ccc(Cl)cc1OC(F)(F)F
InChIInChI=1S/C23H19ClF3NO4S/c1-14-11-17(28-22(29)12-15-3-7-18(8-4-15)33(2,30)31)6-10-19(14)20-9-5-16(24)13-21(20)32-23(25,26)27/h3-11,13H,12H2,1-2H3,(H,28,29)
InChIKeyMCLXSSCQIXWMBR-UHFFFAOYSA-N
XLogP5.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.92
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771339
N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 71284000
N-[3,5-difluoro-4-[4-fluoro-2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71506775
N-(4-bromo-3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71283763
N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71284029
N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71284005
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
2-(4-ethylsulfonylphenyl)-N-[3-pyridin-2-yl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71285897
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139582
2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
CID 166430570
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361
2-(4-ethylsulfonylphenyl)-2-hydroxy-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 144540017

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide (CID 71289939) is N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide is Cc1cc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)ccc1-c1ccc(Cl)cc1OC(F)(F)F.
What is the InChIKey of N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is MCLXSSCQIXWMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3NO4S/c1-14-11-17(28-22(29)12-15-3-7-18(8-4-15)33(2,30)31)6-10-19(14)20-9-5-16(24)13-21(20)32-23(25,26)27/h3-11,13H,12H2,1-2H3,(H,28,29).
What are the key properties of N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide?
N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 497.92 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-2-(trifluoromethoxy)phenyl]-3-methylphenyl]-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 71289939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).