2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide

C13H20N2O4S — CID 62541894

IUPAC2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide
SMILESCOCCNC(C)(C(N)=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-13(12(14)16,15-8-9-19-2)10-4-6-11(7-5-10)20(3,17)18/h4-7,15H,8-9H2,1-3H3,(H2,14,16)
InChIKeySEECAPQYJGTIII-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.03
Rot. Bonds7

About 2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide

2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide (PubChem CID 62541894) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide
PubChem CID62541894
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide
SMILESCOCCNC(C)(C(N)=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-13(12(14)16,15-8-9-19-2)10-4-6-11(7-5-10)20(3,17)18/h4-7,15H,8-9H2,1-3H3,(H2,14,16)
InChIKeySEECAPQYJGTIII-UHFFFAOYSA-N
XLogP0.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of 2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide (CID 62541894) is 2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide is COCCNC(C)(C(N)=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide?
The InChIKey is SEECAPQYJGTIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-13(12(14)16,15-8-9-19-2)10-4-6-11(7-5-10)20(3,17)18/h4-7,15H,8-9H2,1-3H3,(H2,14,16).
What are the key properties of 2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide?
2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide has a molecular weight of 300.38 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 62541894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).