2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide

C12H17NO4S — CID 110479196

IUPAC2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
SMILESCOCC(=O)NCCc1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H17NO4S/c1-17-9-12(14)13-8-7-10-5-3-4-6-11(10)18(2,15)16/h3-6H,7-9H2,1-2H3,(H,13,14)
InChIKeyJICDDVHJHVHFBQ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.40
Rot. Bonds6

About 2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide

2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 110479196) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
PubChem CID110479196
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
SMILESCOCC(=O)NCCc1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H17NO4S/c1-17-9-12(14)13-8-7-10-5-3-4-6-11(10)18(2,15)16/h3-6H,7-9H2,1-2H3,(H,13,14)
InChIKeyJICDDVHJHVHFBQ-UHFFFAOYSA-N
XLogP0.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470575
N-[2-(2-methylsulfonylphenyl)ethyl]propanamide
CID 110477488
2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479076
N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110478158
2-methoxy-N-[2-(2-methylsulfanylphenyl)ethyl]acetamide
CID 110479161
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
N-methyl-2-(2-methylsulfonylphenyl)acetamide
CID 110487093
[2-oxo-2-(2-phenylethylamino)ethyl] 2-methylsulfonylbenzoate
CID 18080788
5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 167799120
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470517
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methoxyacetyl)amino]ethyl]propanamide
CID 108540329

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide (CID 110479196) is 2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide is COCC(=O)NCCc1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is JICDDVHJHVHFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-17-9-12(14)13-8-7-10-5-3-4-6-11(10)18(2,15)16/h3-6H,7-9H2,1-2H3,(H,13,14).
What are the key properties of 2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide?
2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 271.34 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 110479196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).