N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide

C22H21NO2S — CID 28571355

IUPACN-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1
InChIInChI=1S/C22H21NO2S/c1-17-6-5-7-19(16-17)23-22(24)18-10-12-20(13-11-18)25-14-15-26-21-8-3-2-4-9-21/h2-13,16H,14-15H2,1H3,(H,23,24)
InChIKeyVZXLYSSZUAJHBC-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.42
Rot. Bonds7

About N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide

N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 28571355) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID28571355
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1
InChIInChI=1S/C22H21NO2S/c1-17-6-5-7-19(16-17)23-22(24)18-10-12-20(13-11-18)25-14-15-26-21-8-3-2-4-9-21/h2-13,16H,14-15H2,1H3,(H,23,24)
InChIKeyVZXLYSSZUAJHBC-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-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479
N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28578298
N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 53284080
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635770
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43885433
N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909345

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide (CID 28571355) is N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide is Cc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is VZXLYSSZUAJHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-17-6-5-7-19(16-17)23-22(24)18-10-12-20(13-11-18)25-14-15-26-21-8-3-2-4-9-21/h2-13,16H,14-15H2,1H3,(H,23,24).
What are the key properties of N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
N-(3-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-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 28571355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).