N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide

C23H22N2O3S — CID 28635830

IUPACN-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O3S/c1-17(26)24-19-9-11-20(12-10-19)25-23(27)18-7-13-21(14-8-18)28-15-16-29-22-5-3-2-4-6-22/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyKLNNLKUPTSZIDT-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.07
Rot. Bonds8

About N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide

N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 28635830) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID28635830
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O3S/c1-17(26)24-19-9-11-20(12-10-19)25-23(27)18-7-13-21(14-8-18)28-15-16-29-22-5-3-2-4-6-22/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyKLNNLKUPTSZIDT-UHFFFAOYSA-N
XLogP5.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide 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-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479
N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28578298
N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909345
N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28571355
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635770
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46771083
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43885433
N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 53284080
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide (CID 28635830) is N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is KLNNLKUPTSZIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-17(26)24-19-9-11-20(12-10-19)25-23(27)18-7-13-21(14-8-18)28-15-16-29-22-5-3-2-4-6-22/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide?
N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 406.51 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 28635830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).