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

C18H19F3N2O4S — CID 21366819

IUPAC2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H19F3N2O4S/c1-23(28(2,25)26)11-13-6-8-16(9-7-13)27-12-17(24)22-15-5-3-4-14(10-15)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeySXZZESDHNLZFMD-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.11
Rot. Bonds7

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

2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 21366819) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID21366819
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H19F3N2O4S/c1-23(28(2,25)26)11-13-6-8-16(9-7-13)27-12-17(24)22-15-5-3-4-14(10-15)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeySXZZESDHNLZFMD-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2126324
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
2-[(4-methoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8761296
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 21173330
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873438
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232
N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 55523564
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 112790564
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2224754
N-[4-(dimethylamino)butan-2-yl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 86945816

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 21366819) is 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide is CN(Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SXZZESDHNLZFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-23(28(2,25)26)11-13-6-8-16(9-7-13)27-12-17(24)22-15-5-3-4-14(10-15)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 416.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 21366819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).