3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide

C14H22N2O5S — CID 121286188

IUPAC3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCCOCCOCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O5S/c1-2-20-9-10-21-8-7-14(17)16-11-12-3-5-13(6-4-12)22(15,18)19/h3-6H,2,7-11H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyJMDPJALFLFSTQV-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.39
Rot. Bonds10

About 3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide

3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 121286188) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID121286188
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCCOCCOCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O5S/c1-2-20-9-10-21-8-7-14(17)16-11-12-3-5-13(6-4-12)22(15,18)19/h3-6H,2,7-11H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyJMDPJALFLFSTQV-UHFFFAOYSA-N
XLogP0.39
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.39
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

3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide
CID 86777227
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108789911
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60850763
3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108795325
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
2-amino-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]acetamide
CID 10756624

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 121286188) is 3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide is CCOCCOCCC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is JMDPJALFLFSTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-2-20-9-10-21-8-7-14(17)16-11-12-3-5-13(6-4-12)22(15,18)19/h3-6H,2,7-11H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide?
3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 330.41 g/mol, XLogP of 0.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 121286188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).