3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide

C12H16N4O3S — CID 106274839

IUPAC3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(N)cc1C#N)C(N)=O
InChIInChI=1S/C12H16N4O3S/c1-12(2,11(15)17)7-16-20(18,19)10-4-3-9(14)5-8(10)6-13/h3-5,16H,7,14H2,1-2H3,(H2,15,17)
InChIKeyAHUDUBKILLWXMC-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.07
Rot. Bonds5

About 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide

3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide (PubChem CID 106274839) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide
PubChem CID106274839
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNS(=O)(=O)c1ccc(N)cc1C#N)C(N)=O
InChIInChI=1S/C12H16N4O3S/c1-12(2,11(15)17)7-16-20(18,19)10-4-3-9(14)5-8(10)6-13/h3-5,16H,7,14H2,1-2H3,(H2,15,17)
InChIKeyAHUDUBKILLWXMC-UHFFFAOYSA-N
XLogP-0.07
TPSA139.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide 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-2-cyano-N-ethylbenzenesulfonamide
CID 43255698
5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]benzoic acid
CID 106274852
4-amino-2-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 43256371
3-[(4-amino-2-cyanophenyl)sulfonylamino]-2-hydroxypropanamide
CID 106164933
4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 93081252
1-(4-amino-2-cyanophenyl)sulfonyl-3-tert-butylurea
CID 116646560
4-amino-2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165292
4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822731
4-amino-2-cyano-N-pentan-3-ylbenzenesulfonamide
CID 43255682
4-amino-2-cyano-N-pent-4-ynylbenzenesulfonamide
CID 106219873
4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide
CID 60921087
3-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]-4-methylbenzoic acid
CID 106275642

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide (CID 106274839) is 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide is CC(C)(CNS(=O)(=O)c1ccc(N)cc1C#N)C(N)=O.
What is the InChIKey of 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide?
The InChIKey is AHUDUBKILLWXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-12(2,11(15)17)7-16-20(18,19)10-4-3-9(14)5-8(10)6-13/h3-5,16H,7,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide?
3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide has a molecular weight of 296.35 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106274839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).