3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide

C13H20N2O4S — CID 86777227

IUPAC3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide
SMILESCCOCCC(=O)NCc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-19-9-8-13(16)15-10-11-4-6-12(7-5-11)20(17,18)14-2/h4-7,14H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyGGIYFFQRZRUMAU-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.64
Rot. Bonds8

About 3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide

3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide (PubChem CID 86777227) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide
PubChem CID86777227
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide
SMILESCCOCCC(=O)NCc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-19-9-8-13(16)15-10-11-4-6-12(7-5-11)20(17,18)14-2/h4-7,14H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyGGIYFFQRZRUMAU-UHFFFAOYSA-N
XLogP0.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 121286188
1-(3-ethoxypropyl)-2-methyl-3-[[4-(methylsulfamoyl)phenyl]methyl]guanidine
CID 111222569
4-[(butanoylamino)methyl]benzenesulfonyl chloride
CID 24688623
N-[[4-(ethoxymethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 30874185
3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358087
N-[(3-methoxyphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007299
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
2,3,4-trimethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 46463295
N-(3-methoxypropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180667
4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55909885

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide?
The IUPAC name of 3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide (CID 86777227) is 3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide is CCOCCC(=O)NCc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of 3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide?
The InChIKey is GGIYFFQRZRUMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-19-9-8-13(16)15-10-11-4-6-12(7-5-11)20(17,18)14-2/h4-7,14H,3,8-10H2,1-2H3,(H,15,16).
What are the key properties of 3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide?
3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide has a molecular weight of 300.38 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide is sourced from PubChem (CID 86777227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).