2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide

C13H22N4O3S — CID 82899371

IUPAC2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide
SMILESCNS(=O)(=O)c1ccc(N)c(N(CC(N)=O)CC(C)C)c1
InChIInChI=1S/C13H22N4O3S/c1-9(2)7-17(8-13(15)18)12-6-10(4-5-11(12)14)21(19,20)16-3/h4-6,9,16H,7-8,14H2,1-3H3,(H2,15,18)
InChIKeyPYCBPLKPQJFUPQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.12
Rot. Bonds7

About 2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide

2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide (PubChem CID 82899371) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound Name2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide
PubChem CID82899371
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide
SMILESCNS(=O)(=O)c1ccc(N)c(N(CC(N)=O)CC(C)C)c1
InChIInChI=1S/C13H22N4O3S/c1-9(2)7-17(8-13(15)18)12-6-10(4-5-11(12)14)21(19,20)16-3/h4-6,9,16H,7-8,14H2,1-3H3,(H2,15,18)
InChIKeyPYCBPLKPQJFUPQ-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]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

4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 82899686
2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 82899999
4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide
CID 82898904
4-amino-3-[2-cyanopropyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 82899124
2-[2-amino-5-(ethylsulfamoyl)-N-propan-2-ylanilino]acetamide
CID 82899245
2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 106747549
4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 82898644
3-amino-4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzoic acid
CID 55003908
4-amino-N-methyl-3-[pentyl(propan-2-yl)amino]benzenesulfonamide
CID 82899358
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-5-chlorobenzoic acid
CID 55009627
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962
3-amino-N-methyl-4-(6-methylheptan-2-ylamino)benzenesulfonamide
CID 61469173

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide?
The IUPAC name of 2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide (CID 82899371) is 2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide.
What is the SMILES notation for 2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide?
The canonical SMILES for 2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide is CNS(=O)(=O)c1ccc(N)c(N(CC(N)=O)CC(C)C)c1.
What is the InChIKey of 2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide?
The InChIKey is PYCBPLKPQJFUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-9(2)7-17(8-13(15)18)12-6-10(4-5-11(12)14)21(19,20)16-3/h4-6,9,16H,7-8,14H2,1-3H3,(H2,15,18).
What are the key properties of 2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide?
2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide has a molecular weight of 314.41 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-(2-methylpropyl)-5-(methylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 82899371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).