N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide

C23H23NO2S — CID 53284080

IUPACN-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1C
InChIInChI=1S/C23H23NO2S/c1-17-7-6-10-22(18(17)2)24-23(25)19-11-13-20(14-12-19)26-15-16-27-21-8-4-3-5-9-21/h3-14H,15-16H2,1-2H3,(H,24,25)
InChIKeyZITFXUPYGNSOKR-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.73
Rot. Bonds7

About N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide

N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 53284080) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID53284080
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC NameN-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1C
InChIInChI=1S/C23H23NO2S/c1-17-7-6-10-22(18(17)2)24-23(25)19-11-13-20(14-12-19)26-15-16-27-21-8-4-3-5-9-21/h3-14H,15-16H2,1-2H3,(H,24,25)
InChIKeyZITFXUPYGNSOKR-UHFFFAOYSA-N
XLogP5.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.73
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

ethyl 2-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzoate
CID 92675667
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479
N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28571355
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635770
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46771083
N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
CID 7946940
N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20985309
N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 30392683
methyl 4-chloro-3-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzoate
CID 99949786

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide (CID 53284080) is N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide is Cc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is ZITFXUPYGNSOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-17-7-6-10-22(18(17)2)24-23(25)19-11-13-20(14-12-19)26-15-16-27-21-8-4-3-5-9-21/h3-14H,15-16H2,1-2H3,(H,24,25).
What are the key properties of N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 377.51 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 53284080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).