2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide

C14H19NO2S — CID 71981053

IUPAC2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide
SMILESCC=CCS(=O)CC(=O)N(CC)c1ccccc1
InChIInChI=1S/C14H19NO2S/c1-3-5-11-18(17)12-14(16)15(4-2)13-9-7-6-8-10-13/h3,5-10H,4,11-12H2,1-2H3
InChIKeyQJEYMCQNCTYKLP-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.36
Rot. Bonds6

About 2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide

2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide (PubChem CID 71981053) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide
PubChem CID71981053
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide
SMILESCC=CCS(=O)CC(=O)N(CC)c1ccccc1
InChIInChI=1S/C14H19NO2S/c1-3-5-11-18(17)12-14(16)15(4-2)13-9-7-6-8-10-13/h3,5-10H,4,11-12H2,1-2H3
InChIKeyQJEYMCQNCTYKLP-UHFFFAOYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]-N-phenylacetamide
CID 110005625
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-[(E)-but-2-enyl]-N-phenylpropanamide
CID 134899700
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
N-ethyl-N-phenyloctadecanamide
CID 151424183
4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
CID 119261842
N-ethyl-N-phenyl-3-phenylsulfanylpropanamide
CID 132965267
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
3-(2-aminophenyl)-N-ethyl-N-phenylpropanamide
CID 28713899
4-[3-(N-ethylanilino)-3-oxopropyl]benzoic acid
CID 82071678
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide
CID 108954138

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide (CID 71981053) is 2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide is CC=CCS(=O)CC(=O)N(CC)c1ccccc1.
What is the InChIKey of 2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide?
The InChIKey is QJEYMCQNCTYKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-3-5-11-18(17)12-14(16)15(4-2)13-9-7-6-8-10-13/h3,5-10H,4,11-12H2,1-2H3.
What are the key properties of 2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide?
2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide has a molecular weight of 265.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enylsulfinyl-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 71981053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).