2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

C18H19F3N2O3S — CID 1144938

IUPAC2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(C)c1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C18H19F3N2O3S/c1-12-7-6-8-13(2)17(12)23(27(3,25)26)11-16(24)22-15-10-5-4-9-14(15)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyJLJPRVMMLQCGSL-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.73
Rot. Bonds5

About 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1144938) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID1144938
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(C)c1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C18H19F3N2O3S/c1-12-7-6-8-13(2)17(12)23(27(3,25)26)11-16(24)22-15-10-5-4-9-14(15)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyJLJPRVMMLQCGSL-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3296001
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012
N-(2-bromophenyl)-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 30169089
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1336235
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1321054
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 17201030
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1333886
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 2898694
2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2279954
2-[2-methylpropyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113148570
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-naphthalen-1-yl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30259474

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 1144938) is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1cccc(C)c1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JLJPRVMMLQCGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-12-7-6-8-13(2)17(12)23(27(3,25)26)11-16(24)22-15-10-5-4-9-14(15)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 400.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1144938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).