2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide

C20H23F3N2O3S — CID 132668306

IUPAC2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C20H23F3N2O3S/c1-5-18(19(26)24-16-8-6-15(7-9-16)20(21,22)23)25(29(4,27)28)17-11-13(2)10-14(3)12-17/h6-12,18H,5H2,1-4H3,(H,24,26)
InChIKeyWDFJEVXPUABCEW-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.51
Rot. Bonds6

About 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 132668306) has the molecular formula C20H23F3N2O3S and a molecular weight of 428.48 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID132668306
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C20H23F3N2O3S/c1-5-18(19(26)24-16-8-6-15(7-9-16)20(21,22)23)25(29(4,27)28)17-11-13(2)10-14(3)12-17/h6-12,18H,5H2,1-4H3,(H,24,26)
InChIKeyWDFJEVXPUABCEW-UHFFFAOYSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 132668305
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 132674566
methyl 4-[2-(3,5-dimethyl-N-methylsulfonylanilino)butanoylamino]benzoate
CID 132665628
N-[4-(cyanomethyl)phenyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132661104
N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132660103
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 132658860
N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132673254
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide
CID 132664337
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100534318
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]butanamide
CID 100571012
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanoic acid
CID 124861253
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)butanamide
CID 132665009

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide (CID 132668306) is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide is CCC(C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is WDFJEVXPUABCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-5-18(19(26)24-16-8-6-15(7-9-16)20(21,22)23)25(29(4,27)28)17-11-13(2)10-14(3)12-17/h6-12,18H,5H2,1-4H3,(H,24,26).
What are the key properties of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide?
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 428.48 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 132668306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).