methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate

C13H20N2O4S — CID 62004595

IUPACmethyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate
SMILESCNS(=O)(=O)c1ccccc1N(CC(=O)OC)C(C)C
InChIInChI=1S/C13H20N2O4S/c1-10(2)15(9-13(16)19-4)11-7-5-6-8-12(11)20(17,18)14-3/h5-8,10,14H,9H2,1-4H3
InChIKeyUQOUTJYHHVFWGM-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.98
Rot. Bonds6

About methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate

methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate (PubChem CID 62004595) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate
PubChem CID62004595
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namemethyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate
SMILESCNS(=O)(=O)c1ccccc1N(CC(=O)OC)C(C)C
InChIInChI=1S/C13H20N2O4S/c1-10(2)15(9-13(16)19-4)11-7-5-6-8-12(11)20(17,18)14-3/h5-8,10,14H,9H2,1-4H3
InChIKeyUQOUTJYHHVFWGM-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

methyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
CID 62006228
2-[N-methyl-2-(methylsulfamoyl)anilino]propanoic acid
CID 62637563
methyl 2-[N-methyl-2-(propylsulfamoyl)anilino]acetate
CID 62005097
2-[2-(dimethylsulfamoyl)-N-propan-2-ylanilino]acetic acid
CID 60829714
methyl 2-(2-methyl-3-nitro-N-propan-2-ylanilino)acetate
CID 55146227
N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 63199232
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
ethyl 2-[N-methyl-2-(propan-2-ylsulfamoyl)anilino]acetate
CID 62007153
2-[2-(difluoromethylsulfonyl)-N-propan-2-ylanilino]acetic acid
CID 60830041
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylbenzenesulfonamide
CID 79390626
2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid
CID 79264806
methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate
CID 62006867

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate?
The IUPAC name of methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate (CID 62004595) is methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate.
What is the SMILES notation for methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate?
The canonical SMILES for methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate is CNS(=O)(=O)c1ccccc1N(CC(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate?
The InChIKey is UQOUTJYHHVFWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(2)15(9-13(16)19-4)11-7-5-6-8-12(11)20(17,18)14-3/h5-8,10,14H,9H2,1-4H3.
What are the key properties of methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate?
methyl 2-[2-(methylsulfamoyl)-N-propan-2-ylanilino]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-[2-(methylsulfamoyl)-N-propan-2-ylanilino]acetate is sourced from PubChem (CID 62004595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).