2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide

C10H16N4O4S — CID 106234450

IUPAC2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C10H16N4O4S/c11-8-5-7(1-2-9(8)19(13,16)17)14-3-4-18-6-10(12)15/h1-2,5,14H,3-4,6,11H2,(H2,12,15)(H2,13,16,17)
InChIKeyKGBMHOBPPZDWHL-UHFFFAOYSA-N
MW288.33 g/mol
LogP-1.17
Rot. Bonds7

About 2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide

2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide (PubChem CID 106234450) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide
PubChem CID106234450
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C10H16N4O4S/c11-8-5-7(1-2-9(8)19(13,16)17)14-3-4-18-6-10(12)15/h1-2,5,14H,3-4,6,11H2,(H2,12,15)(H2,13,16,17)
InChIKeyKGBMHOBPPZDWHL-UHFFFAOYSA-N
XLogP-1.17
TPSA150.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[2-(2-methylprop-2-enoxy)ethylamino]benzenesulfonamide
CID 114465302
2-amino-4-(2-methoxyethylamino)benzenesulfonamide
CID 79467385
2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide
CID 106240860
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-[2-(3-amino-5-sulfamoylanilino)ethoxy]acetamide
CID 106234438
2-amino-4-(2-phenoxyethylamino)benzenesulfonamide
CID 79466327
2-[2-(2-sulfamoylanilino)ethoxy]acetamide
CID 114162595
2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide
CID 106239804
2-[2-(2-fluoro-4-sulfamoylanilino)ethoxy]acetamide
CID 106239840
2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
CID 83202387
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-[2-(4-carbamothioyl-3-chloroanilino)ethoxy]acetamide
CID 106237332

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide?
The IUPAC name of 2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide (CID 106234450) is 2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide is NC(=O)COCCNc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide?
The InChIKey is KGBMHOBPPZDWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c11-8-5-7(1-2-9(8)19(13,16)17)14-3-4-18-6-10(12)15/h1-2,5,14H,3-4,6,11H2,(H2,12,15)(H2,13,16,17).
What are the key properties of 2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide?
2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide has a molecular weight of 288.33 g/mol, XLogP of -1.17, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-4-sulfamoylanilino)ethoxy]acetamide is sourced from PubChem (CID 106234450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).