2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide

C13H22N4O3S — CID 82899999

IUPAC2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(S(=O)(=O)NC)ccc1N
InChIInChI=1S/C13H22N4O3S/c1-5-17(9-13(18)16(3)4)12-8-10(6-7-11(12)14)21(19,20)15-2/h6-8,15H,5,9,14H2,1-4H3
InChIKeyXRADYUMUJXYAHW-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.09
Rot. Bonds6

About 2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide

2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide (PubChem CID 82899999) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide
PubChem CID82899999
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cc(S(=O)(=O)NC)ccc1N
InChIInChI=1S/C13H22N4O3S/c1-5-17(9-13(18)16(3)4)12-8-10(6-7-11(12)14)21(19,20)15-2/h6-8,15H,5,9,14H2,1-4H3
InChIKeyXRADYUMUJXYAHW-UHFFFAOYSA-N
XLogP0.09
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide (CID 82899999) is 2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1cc(S(=O)(=O)NC)ccc1N.
What is the InChIKey of 2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide?
The InChIKey is XRADYUMUJXYAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-5-17(9-13(18)16(3)4)12-8-10(6-7-11(12)14)21(19,20)15-2/h6-8,15H,5,9,14H2,1-4H3.
What are the key properties of 2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide?
2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide has a molecular weight of 314.41 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 82899999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).