N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide

C13H20N2O4S — CID 47468920

IUPACN-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide
SMILESCOCCN(C)C(=O)c1cc(S(N)(=O)=O)c(C)cc1C
InChIInChI=1S/C13H20N2O4S/c1-9-7-10(2)12(20(14,17)18)8-11(9)13(16)15(3)5-6-19-4/h7-8H,5-6H2,1-4H3,(H2,14,17,18)
InChIKeyADDPKDHPTKUHGG-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.67
Rot. Bonds5

About N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide

N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide (PubChem CID 47468920) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide
PubChem CID47468920
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide
SMILESCOCCN(C)C(=O)c1cc(S(N)(=O)=O)c(C)cc1C
InChIInChI=1S/C13H20N2O4S/c1-9-7-10(2)12(20(14,17)18)8-11(9)13(16)15(3)5-6-19-4/h7-8H,5-6H2,1-4H3,(H2,14,17,18)
InChIKeyADDPKDHPTKUHGG-UHFFFAOYSA-N
XLogP0.67
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide
CID 65387443
N-(2-methoxyethyl)-N,2,3-trimethyl-5-sulfamoylbenzamide
CID 65387633
N,2,4-trimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62046315
2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide
CID 81478870
N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 80718372
5-bromo-N-(2-methoxyethyl)-N-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387444
5-(hydroxymethyl)-N-(2-methoxyethyl)-N,2-dimethylbenzamide
CID 70333198
5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370990
N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide
CID 115661128
2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65370605
2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide
CID 81482028
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide (CID 47468920) is N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide is COCCN(C)C(=O)c1cc(S(N)(=O)=O)c(C)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide?
The InChIKey is ADDPKDHPTKUHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9-7-10(2)12(20(14,17)18)8-11(9)13(16)15(3)5-6-19-4/h7-8H,5-6H2,1-4H3,(H2,14,17,18).
What are the key properties of N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide?
N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 47468920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).