N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C17H17F3N2O4S — CID 8510085

IUPACN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)ccc1C
InChIInChI=1S/C17H17F3N2O4S/c1-11-3-6-13(9-15(11)27(24,25)21-2)22-16(23)10-26-14-7-4-12(5-8-14)17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyRJDYDWULVANMCB-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.94
Rot. Bonds6

About N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 8510085) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID8510085
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)ccc1C
InChIInChI=1S/C17H17F3N2O4S/c1-11-3-6-13(9-15(11)27(24,25)21-2)22-16(23)10-26-14-7-4-12(5-8-14)17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyRJDYDWULVANMCB-UHFFFAOYSA-N
XLogP2.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467598
2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9012584
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005218
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
CID 9107112
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199194
2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26852031
ethyl 2-[4-[[2-methyl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylmethyl]phenoxy]acetate
CID 161238220
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467602

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 8510085) is N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is CNS(=O)(=O)c1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)ccc1C.
What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is RJDYDWULVANMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-11-3-6-13(9-15(11)27(24,25)21-2)22-16(23)10-26-14-7-4-12(5-8-14)17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23).
What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 402.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 8510085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).