N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide

C13H16F3NO3S — CID 101114075

IUPACN-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide
SMILESCCCC(=O)Nc1c(C)cc(C)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H16F3NO3S/c1-4-5-11(18)17-12-9(3)6-8(2)7-10(12)21(19,20)13(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyIDLWRAJQSSPTPD-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.34
Rot. Bonds4

About N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide

N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide (PubChem CID 101114075) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide
PubChem CID101114075
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC NameN-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide
SMILESCCCC(=O)Nc1c(C)cc(C)cc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H16F3NO3S/c1-4-5-11(18)17-12-9(3)6-8(2)7-10(12)21(19,20)13(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyIDLWRAJQSSPTPD-UHFFFAOYSA-N
XLogP3.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 155118629
1-methyl-3,5-bis(trifluoromethyl)benzene;N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]butanamide
CID 144913560
N-[4-chloro-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]butanamide
CID 54830975
3-pyridin-2-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 47468107
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113122527
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
4-(2-methylsulfonylethylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide
CID 47068848
3-bromo-2-(butanoylamino)-5-methylbenzoic acid
CID 47069657
3,5-dimethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 18070783

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide?
The IUPAC name of N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide (CID 101114075) is N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide.
What is the SMILES notation for N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide?
The canonical SMILES for N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide is CCCC(=O)Nc1c(C)cc(C)cc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide?
The InChIKey is IDLWRAJQSSPTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c1-4-5-11(18)17-12-9(3)6-8(2)7-10(12)21(19,20)13(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide?
N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide has a molecular weight of 323.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-6-(trifluoromethylsulfonyl)phenyl]butanamide is sourced from PubChem (CID 101114075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).