2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide

C24H23F2NO2S — CID 18290907

IUPAC2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide
SMILESCC(SCCOC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C24H23F2NO2S/c1-17(24(28)27-22-13-12-20(25)16-21(22)26)30-15-14-29-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16-17,23H,14-15H2,1H3,(H,27,28)
InChIKeyLVZJFVGPHYOYKO-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.83
Rot. Bonds9

About 2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide

2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide (PubChem CID 18290907) has the molecular formula C24H23F2NO2S and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide
PubChem CID18290907
Molecular FormulaC24H23F2NO2S
Molecular Weight427.52 g/mol
Exact Mass427.14
IUPAC Name2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide
SMILESCC(SCCOC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C24H23F2NO2S/c1-17(24(28)27-22-13-12-20(25)16-21(22)26)30-15-14-29-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16-17,23H,14-15H2,1H3,(H,27,28)
InChIKeyLVZJFVGPHYOYKO-UHFFFAOYSA-N
XLogP5.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide
CID 46634104
N-(2,4-difluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 111463782
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
CID 2547216
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248668
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-phenylpropylsulfanyl)propanamide
CID 52505644
[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684101
(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide
CID 7377182
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
N-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546289

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide (CID 18290907) is 2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide is CC(SCCOC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide?
The InChIKey is LVZJFVGPHYOYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO2S/c1-17(24(28)27-22-13-12-20(25)16-21(22)26)30-15-14-29-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16-17,23H,14-15H2,1H3,(H,27,28).
What are the key properties of 2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide?
2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide has a molecular weight of 427.52 g/mol, XLogP of 5.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzhydryloxyethylsulfanyl)-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 18290907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).