2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid

C12H18N2O5S — CID 79457379

IUPAC2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid
SMILESCCNS(=O)(=O)c1ccc(NCCOCC(=O)O)cc1
InChIInChI=1S/C12H18N2O5S/c1-2-14-20(17,18)11-5-3-10(4-6-11)13-7-8-19-9-12(15)16/h3-6,13-14H,2,7-9H2,1H3,(H,15,16)
InChIKeyADGIPEUGNKBOLF-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.50
Rot. Bonds9

About 2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid

2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid (PubChem CID 79457379) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid
PubChem CID79457379
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid
SMILESCCNS(=O)(=O)c1ccc(NCCOCC(=O)O)cc1
InChIInChI=1S/C12H18N2O5S/c1-2-14-20(17,18)11-5-3-10(4-6-11)13-7-8-19-9-12(15)16/h3-6,13-14H,2,7-9H2,1H3,(H,15,16)
InChIKeyADGIPEUGNKBOLF-UHFFFAOYSA-N
XLogP0.50
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283
2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid
CID 79469314
2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240983
4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide
CID 114468845
2-[2-[(4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457001
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-[4-(ethylsulfamoyl)anilino]butanamide
CID 60864144
2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79457362
2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide
CID 106239804
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
2-[2-(2-anilinoethoxy)ethoxy]acetic acid
CID 101429259
N-[2-(2-methylprop-2-enoxy)ethyl]-4-propylsulfonylaniline
CID 114468837

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid (CID 79457379) is 2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid is CCNS(=O)(=O)c1ccc(NCCOCC(=O)O)cc1.
What is the InChIKey of 2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid?
The InChIKey is ADGIPEUGNKBOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-2-14-20(17,18)11-5-3-10(4-6-11)13-7-8-19-9-12(15)16/h3-6,13-14H,2,7-9H2,1H3,(H,15,16).
What are the key properties of 2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid?
2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid has a molecular weight of 302.35 g/mol, XLogP of 0.50, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid is sourced from PubChem (CID 79457379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).