2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide

C12H18N2O4S — CID 106239804

IUPAC2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide
SMILESCCS(=O)(=O)c1ccc(NCCOCC(N)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-2-19(16,17)11-5-3-10(4-6-11)14-7-8-18-9-12(13)15/h3-6,14H,2,7-9H2,1H3,(H2,13,15)
InChIKeyFMYKWUHCGUOPFC-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.39
Rot. Bonds8

About 2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide

2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide (PubChem CID 106239804) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide
PubChem CID106239804
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide
SMILESCCS(=O)(=O)c1ccc(NCCOCC(N)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-2-19(16,17)11-5-3-10(4-6-11)14-7-8-18-9-12(13)15/h3-6,14H,2,7-9H2,1H3,(H2,13,15)
InChIKeyFMYKWUHCGUOPFC-UHFFFAOYSA-N
XLogP0.39
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240983
N-[2-(2-methylprop-2-enoxy)ethyl]-4-propylsulfonylaniline
CID 114468837
2-[2-[[4-(methylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240991
4-ethylsulfonyl-N-(2-propan-2-yloxyethyl)aniline
CID 113250557
2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide
CID 106234450
2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid
CID 79457379
4-ethylsulfonyl-N-pentylaniline
CID 43453358
4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide
CID 114468845
4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264
2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233792
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetamide
CID 106239840
2-[2-(3-amino-5-sulfamoylanilino)ethoxy]acetamide
CID 106234438

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide?
The IUPAC name of 2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide (CID 106239804) is 2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide is CCS(=O)(=O)c1ccc(NCCOCC(N)=O)cc1.
What is the InChIKey of 2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide?
The InChIKey is FMYKWUHCGUOPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-19(16,17)11-5-3-10(4-6-11)14-7-8-18-9-12(13)15/h3-6,14H,2,7-9H2,1H3,(H2,13,15).
What are the key properties of 2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide?
2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide has a molecular weight of 286.35 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide is sourced from PubChem (CID 106239804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).