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

C20H23F3N2O3S — CID 132668305

IUPAC2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C20H23F3N2O3S/c1-5-18(19(26)24-16-8-6-7-15(12-16)20(21,22)23)25(29(4,27)28)17-10-13(2)9-14(3)11-17/h6-12,18H,5H2,1-4H3,(H,24,26)
InChIKeyCHLXVIAQTFCVDT-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.51
Rot. Bonds6

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

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 132668305) 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-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID132668305
Molecular FormulaC20H23F3N2O3S
Molecular Weight428.48 g/mol
Exact Mass428.14
IUPAC Name2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C20H23F3N2O3S/c1-5-18(19(26)24-16-8-6-7-15(12-16)20(21,22)23)25(29(4,27)28)17-10-13(2)9-14(3)11-17/h6-12,18H,5H2,1-4H3,(H,24,26)
InChIKeyCHLXVIAQTFCVDT-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-[4-(trifluoromethyl)phenyl]butanamide
CID 132668306
N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132660103
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 132674568
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)butanamide
CID 132665009
methyl 4-[2-(3,5-dimethyl-N-methylsulfonylanilino)butanoylamino]benzoate
CID 132665628
2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132662341
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 126386881
N-[4-(cyanomethyl)phenyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132661104
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 132658860
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 132674566
4-tert-butyl-N-[3-[[(2S)-2-(N-methylsulfonylanilino)butanoyl]amino]phenyl]benzamide
CID 94013317
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 132668886

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide (CID 132668305) is 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide is CCC(C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is CHLXVIAQTFCVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3S/c1-5-18(19(26)24-16-8-6-7-15(12-16)20(21,22)23)25(29(4,27)28)17-10-13(2)9-14(3)11-17/h6-12,18H,5H2,1-4H3,(H,24,26).
What are the key properties of 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide?
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(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-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 132668305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).