N-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide

C12H17NO4S — CID 4206506

IUPACN-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCOCCNC(=O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H17NO4S/c1-17-8-7-13-12(14)9-10-3-5-11(6-4-10)18(2,15)16/h3-6H,7-9H2,1-2H3,(H,13,14)
InChIKeyMUGDKJHGSGPSKP-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.40
Rot. Bonds6

About N-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide

N-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 4206506) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID4206506
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCOCCNC(=O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H17NO4S/c1-17-8-7-13-12(14)9-10-3-5-11(6-4-10)18(2,15)16/h3-6H,7-9H2,1-2H3,(H,13,14)
InChIKeyMUGDKJHGSGPSKP-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide (CID 4206506) is N-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide is COCCNC(=O)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is MUGDKJHGSGPSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-17-8-7-13-12(14)9-10-3-5-11(6-4-10)18(2,15)16/h3-6H,7-9H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide?
N-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)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 N-(2-methoxyethyl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 4206506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).