ethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate

C13H20N2O4S — CID 2815517

IUPACethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate
SMILESCCOC(=O)CNc1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C13H20N2O4S/c1-5-19-13(16)9-14-12-8-11(7-6-10(12)2)20(17,18)15(3)4/h6-8,14H,5,9H2,1-4H3
InChIKeyMYLXRDYOYGOHET-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.22
Rot. Bonds6

About ethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate

ethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate (PubChem CID 2815517) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate
PubChem CID2815517
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate
SMILESCCOC(=O)CNc1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C13H20N2O4S/c1-5-19-13(16)9-14-12-8-11(7-6-10(12)2)20(17,18)15(3)4/h6-8,14H,5,9H2,1-4H3
InChIKeyMYLXRDYOYGOHET-UHFFFAOYSA-N
XLogP1.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate?
The IUPAC name of ethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate (CID 2815517) is ethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate.
What is the SMILES notation for ethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate?
The canonical SMILES for ethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate is CCOC(=O)CNc1cc(S(=O)(=O)N(C)C)ccc1C.
What is the InChIKey of ethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate?
The InChIKey is MYLXRDYOYGOHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-5-19-13(16)9-14-12-8-11(7-6-10(12)2)20(17,18)15(3)4/h6-8,14H,5,9H2,1-4H3.
What are the key properties of ethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate?
ethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate has a molecular weight of 300.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(dimethylsulfamoyl)-2-methylanilino]acetate is sourced from PubChem (CID 2815517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).