2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide

C15H20F3NO4S — CID 167867168

IUPAC2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESCCC(CCOC)C(=O)NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO4S/c1-4-11(7-8-23-3)14(20)19-24(21,22)12-6-5-10(2)13(9-12)15(16,17)18/h5-6,9,11H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyBUZIQLIQFVUHIK-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.88
Rot. Bonds7

About 2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide

2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide (PubChem CID 167867168) has the molecular formula C15H20F3NO4S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide.

Molecular Properties

Compound Name2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide
PubChem CID167867168
Molecular FormulaC15H20F3NO4S
Molecular Weight367.39 g/mol
Exact Mass367.11
IUPAC Name2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide
SMILESCCC(CCOC)C(=O)NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO4S/c1-4-11(7-8-23-3)14(20)19-24(21,22)12-6-5-10(2)13(9-12)15(16,17)18/h5-6,9,11H,4,7-8H2,1-3H3,(H,19,20)
InChIKeyBUZIQLIQFVUHIK-UHFFFAOYSA-N
XLogP2.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide?
The IUPAC name of 2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide (CID 167867168) is 2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide.
What is the SMILES notation for 2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide?
The canonical SMILES for 2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide is CCC(CCOC)C(=O)NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide?
The InChIKey is BUZIQLIQFVUHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO4S/c1-4-11(7-8-23-3)14(20)19-24(21,22)12-6-5-10(2)13(9-12)15(16,17)18/h5-6,9,11H,4,7-8H2,1-3H3,(H,19,20).
What are the key properties of 2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide?
2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide has a molecular weight of 367.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylbutanamide is sourced from PubChem (CID 167867168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).