ethyl 2-(N-methylsulfonylanilino)acetate

C11H15NO4S — CID 5001910

IUPACethyl 2-(N-methylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C11H15NO4S/c1-3-16-11(13)9-12(17(2,14)15)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyNWSLQFQGUQURAB-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.02
Rot. Bonds5

About ethyl 2-(N-methylsulfonylanilino)acetate

ethyl 2-(N-methylsulfonylanilino)acetate (PubChem CID 5001910) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl 2-(N-methylsulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-methylsulfonylanilino)acetate
PubChem CID5001910
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Nameethyl 2-(N-methylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C11H15NO4S/c1-3-16-11(13)9-12(17(2,14)15)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyNWSLQFQGUQURAB-UHFFFAOYSA-N
XLogP1.02
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(N-sulfamoylanilino)acetate
CID 67139831
ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate
CID 3546283
ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate
CID 50890872
ethyl 2-(N-methylsulfonyl-4-propan-2-ylanilino)acetate
CID 50893587
2-(N-(2-ethoxy-2-oxoethyl)sulfonylanilino)acetic acid
CID 61456675
ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate
CID 2217801
N-ethyl-N-(3-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153695
ethyl 2-(N-methylsulfonyl-2-propan-2-ylanilino)acetate
CID 50893699
2-(N-methylsulfonylanilino)acetate
CID 2063945
2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
CID 113155655
ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100524720
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-methyl-N-phenylacetamide
CID 113156163

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-methylsulfonylanilino)acetate?
The IUPAC name of ethyl 2-(N-methylsulfonylanilino)acetate (CID 5001910) is ethyl 2-(N-methylsulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-methylsulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(N-methylsulfonylanilino)acetate is CCOC(=O)CN(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of ethyl 2-(N-methylsulfonylanilino)acetate?
The InChIKey is NWSLQFQGUQURAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-16-11(13)9-12(17(2,14)15)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-(N-methylsulfonylanilino)acetate?
ethyl 2-(N-methylsulfonylanilino)acetate has a molecular weight of 257.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-methylsulfonylanilino)acetate is sourced from PubChem (CID 5001910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).