ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate

C13H19NO4S — CID 2217801

IUPACethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O
InChIInChI=1S/C13H19NO4S/c1-5-18-12(15)9-14(19(4,16)17)13-10(2)7-6-8-11(13)3/h6-8H,5,9H2,1-4H3
InChIKeyBIQGNXFHLATHSK-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.63
Rot. Bonds5

About ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate

ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate (PubChem CID 2217801) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate
PubChem CID2217801
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Nameethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate
SMILESCCOC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O
InChIInChI=1S/C13H19NO4S/c1-5-18-12(15)9-14(19(4,16)17)13-10(2)7-6-8-11(13)3/h6-8H,5,9H2,1-4H3
InChIKeyBIQGNXFHLATHSK-UHFFFAOYSA-N
XLogP1.63
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(N-methylsulfonylanilino)acetate
CID 5001910
methyl 2-(N-ethylsulfonyl-2,6-dimethylanilino)acetate
CID 50892026
ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate
CID 50892384
ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate
CID 50890872
ethyl 2-(N-methylsulfonyl-2-propan-2-ylanilino)acetate
CID 50893699
N-ethyl-N-(3-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154382
ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfonylamino]acetate
CID 9172927
ethyl 2-(N-methylsulfonyl-4-propan-2-ylanilino)acetate
CID 50893587
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide
CID 113154007
ethyl 2-chloro-5-[[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 30393496
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012
ethyl 2-(N-sulfamoylanilino)acetate
CID 67139831

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate?
The IUPAC name of ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate (CID 2217801) is ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate.
What is the SMILES notation for ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate?
The canonical SMILES for ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate is CCOC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O.
What is the InChIKey of ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate?
The InChIKey is BIQGNXFHLATHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-5-18-12(15)9-14(19(4,16)17)13-10(2)7-6-8-11(13)3/h6-8H,5,9H2,1-4H3.
What are the key properties of ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate?
ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate has a molecular weight of 285.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate is sourced from PubChem (CID 2217801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).