2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide

C11H14FNO2S — CID 55027993

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CSCc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c1-13(15-2)11(14)8-16-7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyVWRDZHDHWVDIKD-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.08
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide (PubChem CID 55027993) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide
PubChem CID55027993
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CSCc1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c1-13(15-2)11(14)8-16-7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyVWRDZHDHWVDIKD-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide (CID 55027993) is 2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide is CON(C)C(=O)CSCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide?
The InChIKey is VWRDZHDHWVDIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-13(15-2)11(14)8-16-7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide has a molecular weight of 243.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 55027993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).