2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide

C11H16N2O5S — CID 112673881

IUPAC2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide
SMILESCS(=O)(=O)c1ccc(C(O)CNOCC(N)=O)cc1
InChIInChI=1S/C11H16N2O5S/c1-19(16,17)9-4-2-8(3-5-9)10(14)6-13-18-7-11(12)15/h2-5,10,13-14H,6-7H2,1H3,(H2,12,15)
InChIKeyTWUYRBMIMWYFNF-UHFFFAOYSA-N
MW288.33 g/mol
LogP-0.87
Rot. Bonds7

About 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide

2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide (PubChem CID 112673881) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide
PubChem CID112673881
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Name2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide
SMILESCS(=O)(=O)c1ccc(C(O)CNOCC(N)=O)cc1
InChIInChI=1S/C11H16N2O5S/c1-19(16,17)9-4-2-8(3-5-9)10(14)6-13-18-7-11(12)15/h2-5,10,13-14H,6-7H2,1H3,(H2,12,15)
InChIKeyTWUYRBMIMWYFNF-UHFFFAOYSA-N
XLogP-0.87
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 60900367
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide
CID 60909521
2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 134298683
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 47022574
2-(3-ethylpentan-3-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 65039226
2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60969570
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
1-(4-methylsulfonylphenyl)-2-(pyrrol-1-ylamino)ethanol
CID 79100079
2-[(1-methoxy-2-methylpropan-2-yl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 115609423
2-(5-methylhexylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 115325590
1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 104760199
2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62414957

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide?
The IUPAC name of 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide (CID 112673881) is 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide.
What is the SMILES notation for 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide?
The canonical SMILES for 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide is CS(=O)(=O)c1ccc(C(O)CNOCC(N)=O)cc1.
What is the InChIKey of 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide?
The InChIKey is TWUYRBMIMWYFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-19(16,17)9-4-2-8(3-5-9)10(14)6-13-18-7-11(12)15/h2-5,10,13-14H,6-7H2,1H3,(H2,12,15).
What are the key properties of 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide?
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide has a molecular weight of 288.33 g/mol, XLogP of -0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide is sourced from PubChem (CID 112673881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).