methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate

C13H20N2O4S — CID 62006228

IUPACmethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
SMILESCOC(=O)CN(C)c1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C13H20N2O4S/c1-10(2)14-20(17,18)12-8-6-5-7-11(12)15(3)9-13(16)19-4/h5-8,10,14H,9H2,1-4H3
InChIKeyZLKGDSNZGMYPMP-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.98
Rot. Bonds6

About methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate

methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate (PubChem CID 62006228) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
PubChem CID62006228
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namemethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
SMILESCOC(=O)CN(C)c1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C13H20N2O4S/c1-10(2)14-20(17,18)12-8-6-5-7-11(12)15(3)9-13(16)19-4/h5-8,10,14H,9H2,1-4H3
InChIKeyZLKGDSNZGMYPMP-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
CID 62007153
methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate
CID 62005097
methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate
CID 62004595
methyl 2-(2-bromo-N-methylanilino)acetate
CID 115232844
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 79378942
2-(3-methyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63198818
methyl 2-(2-carbamothioyl-N-methylanilino)acetate
CID 28602163
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
1-(N-methyl-2-methylsulfonylanilino)propan-2-ol
CID 62335208
2-(N-methyl-2-methylsulfonylanilino)acetic acid
CID 43453480
2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63199010
diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107

Frequently Asked Questions

What is the IUPAC name of methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate?
The IUPAC name of methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate (CID 62006228) is methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate.
What is the SMILES notation for methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate?
The canonical SMILES for methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate is COC(=O)CN(C)c1ccccc1S(=O)(=O)NC(C)C.
What is the InChIKey of methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate?
The InChIKey is ZLKGDSNZGMYPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(2)14-20(17,18)12-8-6-5-7-11(12)15(3)9-13(16)19-4/h5-8,10,14H,9H2,1-4H3.
What are the key properties of methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate?
methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate has a molecular weight of 300.38 g/mol, XLogP of 0.98, 6 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-(propan-2-ylsulfamoyl)anilino]acetate is sourced from PubChem (CID 62006228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).