methyl 2-(2-methyl-N-methylsulfonylanilino)acetate

C11H15NO4S — CID 846612

IUPACmethyl 2-(2-methyl-N-methylsulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C11H15NO4S/c1-9-6-4-5-7-10(9)12(17(3,14)15)8-11(13)16-2/h4-7H,8H2,1-3H3
InChIKeyOBYNWLDOZDZPRL-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.93
Rot. Bonds4

About methyl 2-(2-methyl-N-methylsulfonylanilino)acetate

methyl 2-(2-methyl-N-methylsulfonylanilino)acetate (PubChem CID 846612) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 2-(2-methyl-N-methylsulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-N-methylsulfonylanilino)acetate
PubChem CID846612
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Namemethyl 2-(2-methyl-N-methylsulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C11H15NO4S/c1-9-6-4-5-7-10(9)12(17(3,14)15)8-11(13)16-2/h4-7H,8H2,1-3H3
InChIKeyOBYNWLDOZDZPRL-UHFFFAOYSA-N
XLogP0.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Ethyl(methylsulfonyl)anilino]acetic acid
CID 846884
Methyl N-(3-methylphenyl)-N-(phenylsulfonyl)glycinate
CID 875707
N-(2-methylphenyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]methanesulfonamide
CID 694747
[(3-Chloro-2-methyl-phenyl)-methanesulfonyl-amino]-acetic acid
CID 846773
methyl N-(2,6-dimethylphenyl)-N-(methylsulfonyl)glycinate
CID 694100
N-(Methylsulfonyl)-N-Phenyl-L-Alanine
CID 40554647
N-(4-Methylphenyl)-N-(methylsulfonyl)glycine
CID 846761
2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 875850
methyl N-(3-chloro-4-methylphenyl)-N-(methylsulfonyl)glycinate
CID 675000
N-(3,4-dimethylphenyl)-N-(methylsulfonyl)glycine
CID 846757
N-(2-methylphenyl)-N-(methylsulfonyl)glycine
CID 846942
Methyl [3-fluoro(methylsulfonyl)anilino]acetate
CID 848215

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-N-methylsulfonylanilino)acetate?
The IUPAC name of methyl 2-(2-methyl-N-methylsulfonylanilino)acetate (CID 846612) is methyl 2-(2-methyl-N-methylsulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(2-methyl-N-methylsulfonylanilino)acetate?
The canonical SMILES for methyl 2-(2-methyl-N-methylsulfonylanilino)acetate is COC(=O)CN(c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of methyl 2-(2-methyl-N-methylsulfonylanilino)acetate?
The InChIKey is OBYNWLDOZDZPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-9-6-4-5-7-10(9)12(17(3,14)15)8-11(13)16-2/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-(2-methyl-N-methylsulfonylanilino)acetate?
methyl 2-(2-methyl-N-methylsulfonylanilino)acetate has a molecular weight of 257.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-N-methylsulfonylanilino)acetate is sourced from PubChem (CID 846612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).