2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide

C19H22FNO4S — CID 143299413

IUPAC2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCS(=O)(=O)c1ccc(CCCNC(=O)COCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO4S/c1-26(23,24)18-10-6-15(7-11-18)3-2-12-21-19(22)14-25-13-16-4-8-17(20)9-5-16/h4-11H,2-3,12-14H2,1H3,(H,21,22)
InChIKeyWMNADXOERXZVPP-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.49
Rot. Bonds9

About 2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide

2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide (PubChem CID 143299413) has the molecular formula C19H22FNO4S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide
PubChem CID143299413
Molecular FormulaC19H22FNO4S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide
SMILESCS(=O)(=O)c1ccc(CCCNC(=O)COCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO4S/c1-26(23,24)18-10-6-15(7-11-18)3-2-12-21-19(22)14-25-13-16-4-8-17(20)9-5-16/h4-11H,2-3,12-14H2,1H3,(H,21,22)
InChIKeyWMNADXOERXZVPP-UHFFFAOYSA-N
XLogP2.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide 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)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide (CID 143299413) is 2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide is CS(=O)(=O)c1ccc(CCCNC(=O)COCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide?
The InChIKey is WMNADXOERXZVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4S/c1-26(23,24)18-10-6-15(7-11-18)3-2-12-21-19(22)14-25-13-16-4-8-17(20)9-5-16/h4-11H,2-3,12-14H2,1H3,(H,21,22).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide?
2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide has a molecular weight of 379.45 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[3-(4-methylsulfonylphenyl)propyl]acetamide is sourced from PubChem (CID 143299413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).