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

C22H21NO2S — CID 38003479

IUPACN-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO2S/c1-17-7-11-19(12-8-17)23-22(24)18-9-13-20(14-10-18)25-15-16-26-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyHGFWTGMCYFPYMA-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.42
Rot. Bonds7

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

N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 38003479) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID38003479
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO2S/c1-17-7-11-19(12-8-17)23-22(24)18-9-13-20(14-10-18)25-15-16-26-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyHGFWTGMCYFPYMA-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28571355
N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909345
N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28578298
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43885433
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46771083
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733
N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 53284080
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635770
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46770097

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide (CID 38003479) is N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide is Cc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is HGFWTGMCYFPYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-17-7-11-19(12-8-17)23-22(24)18-9-13-20(14-10-18)25-15-16-26-21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,23,24).
What are the key properties of N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 363.48 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 38003479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).