2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide

C13H20N2O4S — CID 47090064

IUPAC2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H20N2O4S/c1-10-4-5-11(2)12(8-10)20(17,18)15(6-7-19-3)9-13(14)16/h4-5,8H,6-7,9H2,1-3H3,(H2,14,16)
InChIKeyGWPQPXLFFZMKNZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.43
Rot. Bonds7

About 2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide

2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide (PubChem CID 47090064) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide
PubChem CID47090064
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(N)=O)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H20N2O4S/c1-10-4-5-11(2)12(8-10)20(17,18)15(6-7-19-3)9-13(14)16/h4-5,8H,6-7,9H2,1-3H3,(H2,14,16)
InChIKeyGWPQPXLFFZMKNZ-UHFFFAOYSA-N
XLogP0.43
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide (CID 47090064) is 2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide is COCCN(CC(N)=O)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide?
The InChIKey is GWPQPXLFFZMKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-4-5-11(2)12(8-10)20(17,18)15(6-7-19-3)9-13(14)16/h4-5,8H,6-7,9H2,1-3H3,(H2,14,16).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide?
2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide has a molecular weight of 300.38 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 47090064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).