3-ethylsulfinyl-N-phenylpropanamide

C11H15NO2S — CID 143299200

IUPAC3-ethylsulfinyl-N-phenylpropanamide
SMILESCCS(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-2-15(14)9-8-11(13)12-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)
InChIKeyMWFPIBLUMLFWJM-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.78
Rot. Bonds5

About 3-ethylsulfinyl-N-phenylpropanamide

3-ethylsulfinyl-N-phenylpropanamide (PubChem CID 143299200) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-ethylsulfinyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-ethylsulfinyl-N-phenylpropanamide
PubChem CID143299200
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-ethylsulfinyl-N-phenylpropanamide
SMILESCCS(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-2-15(14)9-8-11(13)12-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)
InChIKeyMWFPIBLUMLFWJM-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(S)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide
CID 95354034
3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide
CID 95064164
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
CID 3140697
3-fluoro-N-phenylpropanamide
CID 70366284
4-oxo-N,4-diphenylbutanamide
CID 825307
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
ethane;methane;N-phenylpropanamide
CID 159778408
3-[(5-chloro-2-methoxyphenyl)methylsulfinyl]-N-phenylpropanamide
CID 56808114
(3-anilino-3-oxopropyl)-dimethylsulfanium
CID 10786108

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-N-phenylpropanamide?
The IUPAC name of 3-ethylsulfinyl-N-phenylpropanamide (CID 143299200) is 3-ethylsulfinyl-N-phenylpropanamide.
What is the SMILES notation for 3-ethylsulfinyl-N-phenylpropanamide?
The canonical SMILES for 3-ethylsulfinyl-N-phenylpropanamide is CCS(=O)CCC(=O)Nc1ccccc1.
What is the InChIKey of 3-ethylsulfinyl-N-phenylpropanamide?
The InChIKey is MWFPIBLUMLFWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-15(14)9-8-11(13)12-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13).
What are the key properties of 3-ethylsulfinyl-N-phenylpropanamide?
3-ethylsulfinyl-N-phenylpropanamide has a molecular weight of 225.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-N-phenylpropanamide is sourced from PubChem (CID 143299200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).