methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate

C13H20N2O4S — CID 62005097

IUPACmethyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate
SMILESCCCNS(=O)(=O)c1ccccc1N(C)CC(=O)OC
InChIInChI=1S/C13H20N2O4S/c1-4-9-14-20(17,18)12-8-6-5-7-11(12)15(2)10-13(16)19-3/h5-8,14H,4,9-10H2,1-3H3
InChIKeyJDLQLSIAVXSATQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.98
Rot. Bonds7

About methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate

methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate (PubChem CID 62005097) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate
PubChem CID62005097
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namemethyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate
SMILESCCCNS(=O)(=O)c1ccccc1N(C)CC(=O)OC
InChIInChI=1S/C13H20N2O4S/c1-4-9-14-20(17,18)12-8-6-5-7-11(12)15(2)10-13(16)19-3/h5-8,14H,4,9-10H2,1-3H3
InChIKeyJDLQLSIAVXSATQ-UHFFFAOYSA-N
XLogP0.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate?
The IUPAC name of methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate (CID 62005097) is methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate.
What is the SMILES notation for methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate?
The canonical SMILES for methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate is CCCNS(=O)(=O)c1ccccc1N(C)CC(=O)OC.
What is the InChIKey of methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate?
The InChIKey is JDLQLSIAVXSATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-9-14-20(17,18)12-8-6-5-7-11(12)15(2)10-13(16)19-3/h5-8,14H,4,9-10H2,1-3H3.
What are the key properties of methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate?
methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate has a molecular weight of 300.38 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate is sourced from PubChem (CID 62005097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).