5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide

C13H20N2O4S — CID 43002807

IUPAC5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C)c1
InChIInChI=1S/C13H20N2O4S/c1-10-5-6-11(9-12(10)13(16)15(2)3)20(17,18)14-7-8-19-4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyUMBQELXGTYRWFS-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.62
Rot. Bonds6

About 5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide

5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide (PubChem CID 43002807) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
PubChem CID43002807
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C)c1
InChIInChI=1S/C13H20N2O4S/c1-10-5-6-11(9-12(10)13(16)15(2)3)20(17,18)14-7-8-19-4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyUMBQELXGTYRWFS-UHFFFAOYSA-N
XLogP0.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43049204
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
N-[2-(2-fluorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035449
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035433
5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120717421
N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46674398
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46515959
N-(2-hydroxy-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46652713
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 120656528

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide?
The IUPAC name of 5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide (CID 43002807) is 5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide.
What is the SMILES notation for 5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide?
The canonical SMILES for 5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C)c1.
What is the InChIKey of 5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide?
The InChIKey is UMBQELXGTYRWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-5-6-11(9-12(10)13(16)15(2)3)20(17,18)14-7-8-19-4/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of 5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide?
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide is sourced from PubChem (CID 43002807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).