3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide

C13H21N3O3S — CID 106275000

IUPAC3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C13H21N3O3S/c1-9-5-6-10(7-11(9)14)20(18,19)16-8-13(2,3)12(17)15-4/h5-7,16H,8,14H2,1-4H3,(H,15,17)
InChIKeyKLIAHWBBPUVWDG-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.63
Rot. Bonds5

About 3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide

3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide (PubChem CID 106275000) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
PubChem CID106275000
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C13H21N3O3S/c1-9-5-6-10(7-11(9)14)20(18,19)16-8-13(2,3)12(17)15-4/h5-7,16H,8,14H2,1-4H3,(H,15,17)
InChIKeyKLIAHWBBPUVWDG-UHFFFAOYSA-N
XLogP0.63
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylbenzenesulfonamide
CID 65103032
3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274847
3-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275009
3-[[4-(bromomethyl)phenyl]sulfonylamino]-N,2,2-trimethylpropanamide
CID 106279745
3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274947
3-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 114167516
3-[(3-cyano-4-fluorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 103824138
3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274921
3-(2-amino-4-methylsulfonylanilino)-N,2,2-trimethylpropanamide
CID 106275284
3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274931
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615116
3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324605

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide (CID 106275000) is 3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
The InChIKey is KLIAHWBBPUVWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9-5-6-10(7-11(9)14)20(18,19)16-8-13(2,3)12(17)15-4/h5-7,16H,8,14H2,1-4H3,(H,15,17).
What are the key properties of 3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106275000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).