N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide

C13H18N2O5S — CID 81422921

IUPACN-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)CC2COCCN2)c1
InChIInChI=1S/C13H18N2O5S/c1-21(18,19)10-2-3-12(16)11(7-10)15-13(17)6-9-8-20-5-4-14-9/h2-3,7,9,14,16H,4-6,8H2,1H3,(H,15,17)
InChIKeySALBONLYBUWSJQ-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.11
Rot. Bonds4

About N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide

N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide (PubChem CID 81422921) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide
PubChem CID81422921
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)CC2COCCN2)c1
InChIInChI=1S/C13H18N2O5S/c1-21(18,19)10-2-3-12(16)11(7-10)15-13(17)6-9-8-20-5-4-14-9/h2-3,7,9,14,16H,4-6,8H2,1H3,(H,15,17)
InChIKeySALBONLYBUWSJQ-UHFFFAOYSA-N
XLogP0.11
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide?
The IUPAC name of N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide (CID 81422921) is N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide?
The canonical SMILES for N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide is CS(=O)(=O)c1ccc(O)c(NC(=O)CC2COCCN2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide?
The InChIKey is SALBONLYBUWSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-21(18,19)10-2-3-12(16)11(7-10)15-13(17)6-9-8-20-5-4-14-9/h2-3,7,9,14,16H,4-6,8H2,1H3,(H,15,17).
What are the key properties of N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide?
N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide has a molecular weight of 314.36 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide is sourced from PubChem (CID 81422921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).