2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide

C13H19FN2O4S — CID 32680223

IUPAC2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O4S/c1-16(9-13(17)15-7-8-20-2)21(18,19)10-11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3,(H,15,17)
InChIKeyWNEYDXJDEHFOBB-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.35
Rot. Bonds8

About 2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide

2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 32680223) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID32680223
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O4S/c1-16(9-13(17)15-7-8-20-2)21(18,19)10-11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3,(H,15,17)
InChIKeyWNEYDXJDEHFOBB-UHFFFAOYSA-N
XLogP0.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.35
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 2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 32680223) is 2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is WNEYDXJDEHFOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-16(9-13(17)15-7-8-20-2)21(18,19)10-11-3-5-12(14)6-4-11/h3-6H,7-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 318.37 g/mol, XLogP of 0.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 32680223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).