N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide

C23H20ClF3N2O4S — CID 126388488

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(C)c2)cc1
InChIInChI=1S/C23H20ClF3N2O4S/c1-14-3-5-16(6-4-14)29-34(31,32)18-8-10-21(15(2)11-18)33-13-22(30)28-17-7-9-20(24)19(12-17)23(25,26)27/h3-12,29H,13H2,1-2H3,(H,28,30)
InChIKeyOVHNWRSOYCCMPQ-UHFFFAOYSA-N
MW512.94 g/mol
LogP5.79
Rot. Bonds7

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 126388488) has the molecular formula C23H20ClF3N2O4S and a molecular weight of 512.94 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID126388488
Molecular FormulaC23H20ClF3N2O4S
Molecular Weight512.94 g/mol
Exact Mass512.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(C)c2)cc1
InChIInChI=1S/C23H20ClF3N2O4S/c1-14-3-5-16(6-4-14)29-34(31,32)18-8-10-21(15(2)11-18)33-13-22(30)28-17-7-9-20(24)19(12-17)23(25,26)27/h3-12,29H,13H2,1-2H3,(H,28,30)
InChIKeyOVHNWRSOYCCMPQ-UHFFFAOYSA-N
XLogP5.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.94
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 28555605
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388597
2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 2058795
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 28554818
N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 4243991
N-(2,3-dimethylphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126381639
2-(4-chloro-2-methylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013139
N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 2712532
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 99960904
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1188923
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881234

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide (CID 126388488) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(C)c2)cc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is OVHNWRSOYCCMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O4S/c1-14-3-5-16(6-4-14)29-34(31,32)18-8-10-21(15(2)11-18)33-13-22(30)28-17-7-9-20(24)19(12-17)23(25,26)27/h3-12,29H,13H2,1-2H3,(H,28,30).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 512.94 g/mol, XLogP of 5.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 126388488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).