3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide

C12H18N2O4S — CID 60703250

IUPAC3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCCOCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-2-18-8-7-12(15)14-9-10-3-5-11(6-4-10)19(13,16)17/h3-6H,2,7-9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyHSRASFNIXBJRPC-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.38
Rot. Bonds7

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

3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 60703250) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID60703250
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCCOCCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-2-18-8-7-12(15)14-9-10-3-5-11(6-4-10)19(13,16)17/h3-6H,2,7-9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyHSRASFNIXBJRPC-UHFFFAOYSA-N
XLogP0.38
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 121286188
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
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 60703250) is 3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide is CCOCCC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is HSRASFNIXBJRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-18-8-7-12(15)14-9-10-3-5-11(6-4-10)19(13,16)17/h3-6H,2,7-9H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide?
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 286.35 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 60703250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).