3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide

C12H19N3O3S — CID 79889074

IUPAC3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1cc(C)cc(N)c1C
InChIInChI=1S/C12H19N3O3S/c1-8-6-10(13)9(2)11(7-8)19(17,18)15-5-4-12(16)14-3/h6-7,15H,4-5,13H2,1-3H3,(H,14,16)
InChIKeyTYTODGQDZZCQAT-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.30
Rot. Bonds5

About 3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide

3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 79889074) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID79889074
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1cc(C)cc(N)c1C
InChIInChI=1S/C12H19N3O3S/c1-8-6-10(13)9(2)11(7-8)19(17,18)15-5-4-12(16)14-3/h6-7,15H,4-5,13H2,1-3H3,(H,14,16)
InChIKeyTYTODGQDZZCQAT-UHFFFAOYSA-N
XLogP0.30
TPSA101.29 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 ≤ 50.30
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-[2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108138
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355937
3,4-dimethyl-5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]benzoic acid
CID 61067603
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 116791774
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 114380127
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 79889906
3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
3-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 62955849
3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 79889833
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106164705
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 79884493
3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 103171406

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide (CID 79889074) is 3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide is CNC(=O)CCNS(=O)(=O)c1cc(C)cc(N)c1C.
What is the InChIKey of 3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is TYTODGQDZZCQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-6-10(13)9(2)11(7-8)19(17,18)15-5-4-12(16)14-3/h6-7,15H,4-5,13H2,1-3H3,(H,14,16).
What are the key properties of 3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide?
3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 285.37 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 79889074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).