2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide

C11H15NO4S — CID 4669568

IUPAC2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO4S/c1-16-8-7-12-11(13)9-17(14,15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13)
InChIKeyWGEFBIADJWSYGW-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.22
Rot. Bonds6

About 2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide

2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide (PubChem CID 4669568) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide
PubChem CID4669568
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO4S/c1-16-8-7-12-11(13)9-17(14,15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13)
InChIKeyWGEFBIADJWSYGW-UHFFFAOYSA-N
XLogP0.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide
CID 87023768
methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate
CID 17257191
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
2-(benzenesulfonyl)-N-hydroxyacetamide
CID 91245592
2-[2-(3-methoxypropylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 61486233
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide
CID 3139242
methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934
N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide
CID 64696966

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide (CID 4669568) is 2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is WGEFBIADJWSYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-16-8-7-12-11(13)9-17(14,15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13).
What are the key properties of 2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide?
2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 257.31 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 4669568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).