2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide

C24H25FN2O4S — CID 55945638

IUPAC2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)cc1C
InChIInChI=1S/C24H25FN2O4S/c1-17-9-10-22(11-18(17)2)31-16-24(28)26-14-20-6-4-8-23(13-20)32(29,30)27-15-19-5-3-7-21(25)12-19/h3-13,27H,14-16H2,1-2H3,(H,26,28)
InChIKeyJWSHYEZYESMRFX-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.62
Rot. Bonds9

About 2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide

2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide (PubChem CID 55945638) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
PubChem CID55945638
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)cc1C
InChIInChI=1S/C24H25FN2O4S/c1-17-9-10-22(11-18(17)2)31-16-24(28)26-14-20-6-4-8-23(13-20)32(29,30)27-15-19-5-3-7-21(25)12-19/h3-13,27H,14-16H2,1-2H3,(H,26,28)
InChIKeyJWSHYEZYESMRFX-UHFFFAOYSA-N
XLogP3.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]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-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide (CID 55945638) is 2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide is Cc1ccc(OCC(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide?
The InChIKey is JWSHYEZYESMRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-17-9-10-22(11-18(17)2)31-16-24(28)26-14-20-6-4-8-23(13-20)32(29,30)27-15-19-5-3-7-21(25)12-19/h3-13,27H,14-16H2,1-2H3,(H,26,28).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide has a molecular weight of 456.54 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 55945638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).