3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide

C13H20N2O4S — CID 65387565

IUPAC3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C)C(=O)c1cc(COC)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O4S/c1-4-5-15(2)13(16)11-6-10(9-19-3)7-12(8-11)20(14,17)18/h6-8H,4-5,9H2,1-3H3,(H2,14,17,18)
InChIKeyUJBNUIFEXFTZKG-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.96
Rot. Bonds6

About 3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide

3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide (PubChem CID 65387565) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide
PubChem CID65387565
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C)C(=O)c1cc(COC)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O4S/c1-4-5-15(2)13(16)11-6-10(9-19-3)7-12(8-11)20(14,17)18/h6-8H,4-5,9H2,1-3H3,(H2,14,17,18)
InChIKeyUJBNUIFEXFTZKG-UHFFFAOYSA-N
XLogP0.96
TPSA89.70 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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate
CID 68814471
3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride
CID 65372783
3-chloro-N-(2-methoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 65388976
3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 81074001
3-amino-N-methyl-5-methylsulfonyl-N-propylbenzamide
CID 55009971
N-butyl-N-methyl-3-nitro-5-sulfamoylbenzamide
CID 65373486
3-methylbutyl 3-(methoxymethyl)-5-sulfamoylbenzoate
CID 65380854
N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65375225
3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
CID 65387181
3-bromo-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65386871
1-ethyl-N-methyl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612124
N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387256

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide?
The IUPAC name of 3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide (CID 65387565) is 3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide is CCCN(C)C(=O)c1cc(COC)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide?
The InChIKey is UJBNUIFEXFTZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-5-15(2)13(16)11-6-10(9-19-3)7-12(8-11)20(14,17)18/h6-8H,4-5,9H2,1-3H3,(H2,14,17,18).
What are the key properties of 3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide?
3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65387565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).