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

C13H18N4O3S — CID 106274931

IUPAC3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C13H18N4O3S/c1-13(2,12(18)16-3)8-17-21(19,20)11-5-4-9(7-14)6-10(11)15/h4-6,17H,8,15H2,1-3H3,(H,16,18)
InChIKeyGGGDSLCHYQQGQK-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.19
Rot. Bonds5

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

3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide (PubChem CID 106274931) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
PubChem CID106274931
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1N
InChIInChI=1S/C13H18N4O3S/c1-13(2,12(18)16-3)8-17-21(19,20)11-5-4-9(7-14)6-10(11)15/h4-6,17H,8,15H2,1-3H3,(H,16,18)
InChIKeyGGGDSLCHYQQGQK-UHFFFAOYSA-N
XLogP0.19
TPSA125.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 103824163
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 64899773
2-amino-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115357947
3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274947
tert-butyl N-[2-[(2-amino-4-cyanophenyl)sulfonylamino]ethyl]carbamate
CID 104932801
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-propylacetamide
CID 64899777
3-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275009
3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275000
2-amino-4-cyano-N-octylbenzenesulfonamide
CID 115566069
2-amino-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102694330
2-amino-4-cyano-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 64900444
3-[(3-cyano-4-fluorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 103824138

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide (CID 106274931) is 3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1N.
What is the InChIKey of 3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
The InChIKey is GGGDSLCHYQQGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-13(2,12(18)16-3)8-17-21(19,20)11-5-4-9(7-14)6-10(11)15/h4-6,17H,8,15H2,1-3H3,(H,16,18).
What are the key properties of 3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide has a molecular weight of 310.38 g/mol, XLogP of 0.19, 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-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106274931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).