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

C12H19N3O3S — CID 79889906

IUPAC2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O3S/c1-8-5-10(13)9(2)11(6-8)19(17,18)14-7-12(16)15(3)4/h5-6,14H,7,13H2,1-4H3
InChIKeyITTOQCMWSWJJSI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.25
Rot. Bonds4

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

2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide (PubChem CID 79889906) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide
PubChem CID79889906
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O3S/c1-8-5-10(13)9(2)11(6-8)19(17,18)14-7-12(16)15(3)4/h5-6,14H,7,13H2,1-4H3
InChIKeyITTOQCMWSWJJSI-UHFFFAOYSA-N
XLogP0.25
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.25
H-Bond Donors ≤ 52
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-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 79889074
3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
2-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 54888759
2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 107405776
3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide
CID 104758528
3-amino-N-(3-ethyl-2-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 106284208
3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide
CID 79885175
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 43310749
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,5-dimethylbenzenesulfonamide
CID 79889329
3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 106181480

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide (CID 79889906) is 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide is Cc1cc(N)c(C)c(S(=O)(=O)NCC(=O)N(C)C)c1.
What is the InChIKey of 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide?
The InChIKey is ITTOQCMWSWJJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-5-10(13)9(2)11(6-8)19(17,18)14-7-12(16)15(3)4/h5-6,14H,7,13H2,1-4H3.
What are the key properties of 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide?
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 79889906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).