2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide

C13H20N2O5S — CID 65388369

IUPAC2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide
SMILESCCOCCNC(=O)c1cc(S(N)(=O)=O)ccc1OCC
InChIInChI=1S/C13H20N2O5S/c1-3-19-8-7-15-13(16)11-9-10(21(14,17)18)5-6-12(11)20-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyBVWSWEBNKBDIOU-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.50
Rot. Bonds8

About 2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide

2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide (PubChem CID 65388369) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide
PubChem CID65388369
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide
SMILESCCOCCNC(=O)c1cc(S(N)(=O)=O)ccc1OCC
InChIInChI=1S/C13H20N2O5S/c1-3-19-8-7-15-13(16)11-9-10(21(14,17)18)5-6-12(11)20-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyBVWSWEBNKBDIOU-UHFFFAOYSA-N
XLogP0.50
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide
CID 110315444
4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65371525
2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 47101010
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide
CID 74246247
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
5-amino-N-butyl-2-ethoxybenzamide
CID 28689998
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate
CID 65380431
2-chloro-N-(2-propan-2-yloxyethyl)-5-sulfamoylbenzamide
CID 104600938

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide (CID 65388369) is 2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide is CCOCCNC(=O)c1cc(S(N)(=O)=O)ccc1OCC.
What is the InChIKey of 2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is BVWSWEBNKBDIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-3-19-8-7-15-13(16)11-9-10(21(14,17)18)5-6-12(11)20-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide?
2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 316.38 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65388369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).