2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide

C13H20N2O4S — CID 51102309

IUPAC2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCCCOCC(=O)NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O4S/c1-3-7-19-9-13(16)15-10(2)11-5-4-6-12(8-11)20(14,17)18/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyVKGBLSCWTYRKNA-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.94
Rot. Bonds7

About 2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide

2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (PubChem CID 51102309) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
PubChem CID51102309
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCCCOCC(=O)NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O4S/c1-3-7-19-9-13(16)15-10(2)11-5-4-6-12(8-11)20(14,17)18/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyVKGBLSCWTYRKNA-UHFFFAOYSA-N
XLogP0.94
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.94
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-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
2-(4-chlorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213474
4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
CID 55396046
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide
CID 107937356
3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide
CID 26011119
2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 134002717
2-(4-methylphenyl)sulfanyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213545
2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 17483575
2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 79473809
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
N-[(1R)-1-(4-methylphenyl)ethyl]-2-propoxyacetamide
CID 107941740

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (CID 51102309) is 2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide is CCCOCC(=O)NC(C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is VKGBLSCWTYRKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-7-19-9-13(16)15-10(2)11-5-4-6-12(8-11)20(14,17)18/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 51102309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).