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

C22H19F3N2O4S — CID 30169097

IUPAC2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19F3N2O4S/c1-32(29,30)27(15-21(28)26-17-7-5-6-16(14-17)22(23,24)25)18-10-12-20(13-11-18)31-19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H,26,28)
InChIKeyISCKXTMRQQWJRB-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.90
Rot. Bonds7

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

2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 30169097) has the molecular formula C22H19F3N2O4S and a molecular weight of 464.47 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID30169097
Molecular FormulaC22H19F3N2O4S
Molecular Weight464.47 g/mol
Exact Mass464.10
IUPAC Name2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19F3N2O4S/c1-32(29,30)27(15-21(28)26-17-7-5-6-16(14-17)22(23,24)25)18-10-12-20(13-11-18)31-19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H,26,28)
InChIKeyISCKXTMRQQWJRB-UHFFFAOYSA-N
XLogP4.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2224754
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1100011
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
2-(4-iodo-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 23968246
N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
N-(4-bromo-3-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2281663
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
2-(4-fluoro-N-methylsulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43879912
N-(2-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1097920
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 1295562
3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide
CID 3688327
2-[methylsulfonyl(2-phenylethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7354154

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 30169097) is 2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ISCKXTMRQQWJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4S/c1-32(29,30)27(15-21(28)26-17-7-5-6-16(14-17)22(23,24)25)18-10-12-20(13-11-18)31-19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of 2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 464.47 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 30169097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).