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

C20H22F4N2O4S — CID 28554818

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C20H22F4N2O4S/c1-12(2)10-25-31(28,29)15-5-7-18(13(3)8-15)30-11-19(27)26-14-4-6-17(21)16(9-14)20(22,23)24/h4-9,12,25H,10-11H2,1-3H3,(H,26,27)
InChIKeyFDXZZXWOXMCHRQ-UHFFFAOYSA-N
MW462.47 g/mol
LogP4.10
Rot. Bonds8

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

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide (PubChem CID 28554818) has the molecular formula C20H22F4N2O4S and a molecular weight of 462.47 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
PubChem CID28554818
Molecular FormulaC20H22F4N2O4S
Molecular Weight462.47 g/mol
Exact Mass462.12
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C20H22F4N2O4S/c1-12(2)10-25-31(28,29)15-5-7-18(13(3)8-15)30-11-19(27)26-14-4-6-17(21)16(9-14)20(22,23)24/h4-9,12,25H,10-11H2,1-3H3,(H,26,27)
InChIKeyFDXZZXWOXMCHRQ-UHFFFAOYSA-N
XLogP4.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 54.10
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
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3619640
N-(3-chloro-4-methoxyphenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 1243560
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388488
2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 28556342
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide
CID 1254790
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1266199
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 5001110
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99968022
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554792
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28560482
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906385

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide (CID 28554818) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide is Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The InChIKey is FDXZZXWOXMCHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N2O4S/c1-12(2)10-25-31(28,29)15-5-7-18(13(3)8-15)30-11-19(27)26-14-4-6-17(21)16(9-14)20(22,23)24/h4-9,12,25H,10-11H2,1-3H3,(H,26,27).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide has a molecular weight of 462.47 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 28554818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).