2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide

C12H19N3O4S — CID 106233857

IUPAC2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide
SMILESCc1cc(N)c(S(=O)(=O)NCCOCC(N)=O)cc1C
InChIInChI=1S/C12H19N3O4S/c1-8-5-10(13)11(6-9(8)2)20(17,18)15-3-4-19-7-12(14)16/h5-6,15H,3-4,7,13H2,1-2H3,(H2,14,16)
InChIKeyUIAHDFCAIODLJC-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.33
Rot. Bonds7

About 2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide

2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide (PubChem CID 106233857) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide
PubChem CID106233857
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide
SMILESCc1cc(N)c(S(=O)(=O)NCCOCC(N)=O)cc1C
InChIInChI=1S/C12H19N3O4S/c1-8-5-10(13)11(6-9(8)2)20(17,18)15-3-4-19-7-12(14)16/h5-6,15H,3-4,7,13H2,1-2H3,(H2,14,16)
InChIKeyUIAHDFCAIODLJC-UHFFFAOYSA-N
XLogP-0.33
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233837
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide
CID 106233732
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43153258
2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233792
2-[2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethoxy]acetamide
CID 106241017
2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide
CID 63825119
2-amino-4,5-dimethyl-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61127178
2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide
CID 106235304
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240983

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide (CID 106233857) is 2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide is Cc1cc(N)c(S(=O)(=O)NCCOCC(N)=O)cc1C.
What is the InChIKey of 2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide?
The InChIKey is UIAHDFCAIODLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8-5-10(13)11(6-9(8)2)20(17,18)15-3-4-19-7-12(14)16/h5-6,15H,3-4,7,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide?
2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide has a molecular weight of 301.37 g/mol, XLogP of -0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide is sourced from PubChem (CID 106233857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).