2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C13H18N2O4S — CID 84575707

IUPAC2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CC2COC2)cc1
InChIInChI=1S/C13H18N2O4S/c14-20(17,18)12-3-1-10(2-4-12)5-6-15-13(16)7-11-8-19-9-11/h1-4,11H,5-9H2,(H,15,16)(H2,14,17,18)
InChIKeyORQNJEKOWHXIQL-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.03
Rot. Bonds6

About 2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 84575707) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID84575707
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CC2COC2)cc1
InChIInChI=1S/C13H18N2O4S/c14-20(17,18)12-3-1-10(2-4-12)5-6-15-13(16)7-11-8-19-9-11/h1-4,11H,5-9H2,(H,15,16)(H2,14,17,18)
InChIKeyORQNJEKOWHXIQL-UHFFFAOYSA-N
XLogP0.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 119673755
2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60769664
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-morpholin-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 119673762
1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108912931
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108942543
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30126498
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938
trans-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8019903

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 84575707) is 2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CC2COC2)cc1.
What is the InChIKey of 2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is ORQNJEKOWHXIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c14-20(17,18)12-3-1-10(2-4-12)5-6-15-13(16)7-11-8-19-9-11/h1-4,11H,5-9H2,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 298.36 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 84575707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).