3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide

C13H21N3O3S — CID 106275284

IUPAC3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C13H21N3O3S/c1-13(2,12(17)15-3)8-16-11-6-5-9(7-10(11)14)20(4,18)19/h5-7,16H,8,14H2,1-4H3,(H,15,17)
InChIKeyOXRVKPFTJPJNDW-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.86
Rot. Bonds5

About 3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide

3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide (PubChem CID 106275284) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide
PubChem CID106275284
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ccc(S(C)(=O)=O)cc1N
InChIInChI=1S/C13H21N3O3S/c1-13(2,12(17)15-3)8-16-11-6-5-9(7-10(11)14)20(4,18)19/h5-7,16H,8,14H2,1-4H3,(H,15,17)
InChIKeyOXRVKPFTJPJNDW-UHFFFAOYSA-N
XLogP0.86
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide 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

3-(2-amino-4-methylsulfonylanilino)-2-methylpropane-1,2-diol
CID 66170096
3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275000
3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide
CID 106275246
4-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 114167709
2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide
CID 106333936
tert-butyl N-[3-(2-amino-4-methylsulfonylanilino)propyl]carbamate
CID 104932809
3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide
CID 106275307
1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 54932454
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzenesulfonamide
CID 115358102
4-[2-(2-amino-4-methylsulfonylanilino)ethyl]phenol
CID 61238883
1-N-[2,4-bis(methylsulfonyl)phenyl]-2-methylpropane-1,2-diamine
CID 78954539
3-(4-ethylsulfonylanilino)-N,2,2-trimethylpropanamide
CID 102846503

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide (CID 106275284) is 3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ccc(S(C)(=O)=O)cc1N.
What is the InChIKey of 3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide?
The InChIKey is OXRVKPFTJPJNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-13(2,12(17)15-3)8-16-11-6-5-9(7-10(11)14)20(4,18)19/h5-7,16H,8,14H2,1-4H3,(H,15,17).
What are the key properties of 3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide?
3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106275284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).