2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

C23H21F3N2O4S — CID 2224754

IUPAC2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O4S/c1-33(30,31)28(15-22(29)27-19-9-5-8-18(14-19)23(24,25)26)20-10-12-21(13-11-20)32-16-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,27,29)
InChIKeyNGXGNDJAMDEJHV-UHFFFAOYSA-N
MW478.49 g/mol
LogP4.69
Rot. Bonds8

About 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2224754) has the molecular formula C23H21F3N2O4S and a molecular weight of 478.49 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2224754
Molecular FormulaC23H21F3N2O4S
Molecular Weight478.49 g/mol
Exact Mass478.12
IUPAC Name2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O4S/c1-33(30,31)28(15-22(29)27-19-9-5-8-18(14-19)23(24,25)26)20-10-12-21(13-11-20)32-16-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,27,29)
InChIKeyNGXGNDJAMDEJHV-UHFFFAOYSA-N
XLogP4.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30169097
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1100011
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2712087
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51342544
ethyl 4-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 2222345
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502718
2-[methylsulfonyl(2-phenylethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7354154
N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30266049
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519657
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 133249821
2-(4-fluoro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43879912
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100552758

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 2224754) is 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NGXGNDJAMDEJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O4S/c1-33(30,31)28(15-22(29)27-19-9-5-8-18(14-19)23(24,25)26)20-10-12-21(13-11-20)32-16-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3,(H,27,29).
What are the key properties of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 478.49 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2224754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).