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

C23H21F3N2O4S — CID 2712087

IUPAC2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O4S/c1-33(30,31)28(15-22(29)27-21-10-6-5-9-20(21)23(24,25)26)18-11-13-19(14-12-18)32-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,27,29)
InChIKeyQEZXMDWDHHRNTQ-UHFFFAOYSA-N
MW478.49 g/mol
LogP4.69
Rot. Bonds8

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

2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 2712087) has the molecular formula C23H21F3N2O4S and a molecular weight of 478.49 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID2712087
Molecular FormulaC23H21F3N2O4S
Molecular Weight478.49 g/mol
Exact Mass478.12
IUPAC Name2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21F3N2O4S/c1-33(30,31)28(15-22(29)27-21-10-6-5-9-20(21)23(24,25)26)18-11-13-19(14-12-18)32-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,27,29)
InChIKeyQEZXMDWDHHRNTQ-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-(4-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2279954
2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3296001
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2224754
N-[(2-methylphenyl)methyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 2231727
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 133249821
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1336235
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1333886
ethyl 4-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 2222345
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(N-methylsulfonylanilino)acetamide
CID 30217272
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1144938
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502718
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30248258

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 2712087) is 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QEZXMDWDHHRNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O4S/c1-33(30,31)28(15-22(29)27-21-10-6-5-9-20(21)23(24,25)26)18-11-13-19(14-12-18)32-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,27,29).
What are the key properties of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[2-(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-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2712087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).