2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide

C19H23NO2S — CID 132651398

IUPAC2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C19H23NO2S/c1-5-17(22-18-10-9-13(2)11-14(18)3)19(21)20-15-7-6-8-16(12-15)23-4/h6-12,17H,5H2,1-4H3,(H,20,21)
InChIKeyUFFHWWAXNCAAAC-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.82
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide

2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide (PubChem CID 132651398) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide
PubChem CID132651398
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C19H23NO2S/c1-5-17(22-18-10-9-13(2)11-14(18)3)19(21)20-15-7-6-8-16(12-15)23-4/h6-12,17H,5H2,1-4H3,(H,20,21)
InChIKeyUFFHWWAXNCAAAC-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094
2-(2,4-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 53288935
(2R)-2-(2,5-dimethylphenoxy)-N-(3-methylphenyl)butanamide
CID 93488050
(2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 99952784
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 837829
(2S)-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)butanamide
CID 99133137
(2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92681805
(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide
CID 92686201
2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132651179

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide (CID 132651398) is 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide is CCC(Oc1ccc(C)cc1C)C(=O)Nc1cccc(SC)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide?
The InChIKey is UFFHWWAXNCAAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-5-17(22-18-10-9-13(2)11-14(18)3)19(21)20-15-7-6-8-16(12-15)23-4/h6-12,17H,5H2,1-4H3,(H,20,21).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide?
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide has a molecular weight of 329.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide is sourced from PubChem (CID 132651398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).