2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide

C13H22N4O3S — CID 82899245

IUPAC2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide
SMILESCCNS(=O)(=O)c1ccc(N)c(N(CC(N)=O)C(C)C)c1
InChIInChI=1S/C13H22N4O3S/c1-4-16-21(19,20)10-5-6-11(14)12(7-10)17(9(2)3)8-13(15)18/h5-7,9,16H,4,8,14H2,1-3H3,(H2,15,18)
InChIKeyNRMZKVBHIFOUMJ-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.27
Rot. Bonds7

About 2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide

2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide (PubChem CID 82899245) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide.

Molecular Properties

Compound Name2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide
PubChem CID82899245
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide
SMILESCCNS(=O)(=O)c1ccc(N)c(N(CC(N)=O)C(C)C)c1
InChIInChI=1S/C13H22N4O3S/c1-4-16-21(19,20)10-5-6-11(14)12(7-10)17(9(2)3)8-13(15)18/h5-7,9,16H,4,8,14H2,1-3H3,(H2,15,18)
InChIKeyNRMZKVBHIFOUMJ-UHFFFAOYSA-N
XLogP0.27
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029
2-(2-amino-4-methylsulfonyl-N-propan-2-ylanilino)acetamide
CID 54989457
2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide
CID 82899371
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide
CID 82899358
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide
CID 82900867
4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82901521
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
4-amino-3-[butan-2-yl(ethyl)amino]benzenesulfonamide
CID 82907155
methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate
CID 62007235
4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 82901044

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide?
The IUPAC name of 2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide (CID 82899245) is 2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide.
What is the SMILES notation for 2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide?
The canonical SMILES for 2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide is CCNS(=O)(=O)c1ccc(N)c(N(CC(N)=O)C(C)C)c1.
What is the InChIKey of 2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide?
The InChIKey is NRMZKVBHIFOUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-4-16-21(19,20)10-5-6-11(14)12(7-10)17(9(2)3)8-13(15)18/h5-7,9,16H,4,8,14H2,1-3H3,(H2,15,18).
What are the key properties of 2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide?
2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide has a molecular weight of 314.41 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide is sourced from PubChem (CID 82899245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).