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

C12H19N3O3S — CID 106274847

IUPAC3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
SMILESCc1cc(S(=O)(=O)NCC(C)(C)C(N)=O)ccc1N
InChIInChI=1S/C12H19N3O3S/c1-8-6-9(4-5-10(8)13)19(17,18)15-7-12(2,3)11(14)16/h4-6,15H,7,13H2,1-3H3,(H2,14,16)
InChIKeyCEKWULHIHKBOFW-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.37
Rot. Bonds5

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

3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide (PubChem CID 106274847) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
PubChem CID106274847
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
SMILESCc1cc(S(=O)(=O)NCC(C)(C)C(N)=O)ccc1N
InChIInChI=1S/C12H19N3O3S/c1-8-6-9(4-5-10(8)13)19(17,18)15-7-12(2,3)11(14)16/h4-6,15H,7,13H2,1-3H3,(H2,14,16)
InChIKeyCEKWULHIHKBOFW-UHFFFAOYSA-N
XLogP0.37
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.37
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-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-2,2-dimethylpropanamide
CID 106275956
3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274921
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106165658
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide
CID 66179306
3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275000
2,2-dimethyl-3-[[4-(methylamino)phenyl]sulfonylamino]propanamide
CID 106279964
3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274875
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274860
3-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]-4-methylbenzoic acid
CID 106275642
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279836
N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide
CID 115303618
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274915

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide (CID 106274847) is 3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide is Cc1cc(S(=O)(=O)NCC(C)(C)C(N)=O)ccc1N.
What is the InChIKey of 3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide?
The InChIKey is CEKWULHIHKBOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-6-9(4-5-10(8)13)19(17,18)15-7-12(2,3)11(14)16/h4-6,15H,7,13H2,1-3H3,(H2,14,16).
What are the key properties of 3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide?
3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide has a molecular weight of 285.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106274847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).