2-methoxy-N-(2-methylsulfonylethyl)benzamide

C11H15NO4S — CID 47230081

IUPAC2-methoxy-N-(2-methylsulfonylethyl)benzamide
SMILESCOc1ccccc1C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C11H15NO4S/c1-16-10-6-4-3-5-9(10)11(13)12-7-8-17(2,14)15/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyGKZZDVKXKQMYQL-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.47
Rot. Bonds5

About 2-methoxy-N-(2-methylsulfonylethyl)benzamide

2-methoxy-N-(2-methylsulfonylethyl)benzamide (PubChem CID 47230081) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methylsulfonylethyl)benzamide
PubChem CID47230081
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-methoxy-N-(2-methylsulfonylethyl)benzamide
SMILESCOc1ccccc1C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C11H15NO4S/c1-16-10-6-4-3-5-9(10)11(13)12-7-8-17(2,14)15/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyGKZZDVKXKQMYQL-UHFFFAOYSA-N
XLogP0.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 108538022
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
CID 108570753
2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108538105
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
2-methoxy-N-tridecylbenzamide
CID 139819873
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118
N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
CID 47038001
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790621

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 2-methoxy-N-(2-methylsulfonylethyl)benzamide (CID 47230081) is 2-methoxy-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 2-methoxy-N-(2-methylsulfonylethyl)benzamide is COc1ccccc1C(=O)NCCS(C)(=O)=O.
What is the InChIKey of 2-methoxy-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is GKZZDVKXKQMYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-16-10-6-4-3-5-9(10)11(13)12-7-8-17(2,14)15/h3-6H,7-8H2,1-2H3,(H,12,13).
What are the key properties of 2-methoxy-N-(2-methylsulfonylethyl)benzamide?
2-methoxy-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 257.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 47230081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).