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

C21H17Cl2NO2S — CID 28578298

IUPACN-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C21H17Cl2NO2S/c22-19-11-8-16(14-20(19)23)24-21(25)15-6-9-17(10-7-15)26-12-13-27-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,24,25)
InChIKeyZIQGUDZDMXUVCH-UHFFFAOYSA-N
MW418.35 g/mol
LogP6.42
Rot. Bonds7

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

N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 28578298) has the molecular formula C21H17Cl2NO2S and a molecular weight of 418.35 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID28578298
Molecular FormulaC21H17Cl2NO2S
Molecular Weight418.35 g/mol
Exact Mass417.04
IUPAC NameN-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C21H17Cl2NO2S/c22-19-11-8-16(14-20(19)23)24-21(25)15-6-9-17(10-7-15)26-12-13-27-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,24,25)
InChIKeyZIQGUDZDMXUVCH-UHFFFAOYSA-N
XLogP6.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.35
LogP ≤ 56.42
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-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479
N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28571355
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
methyl 4-chloro-3-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzoate
CID 99949786
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
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
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635770

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide (CID 28578298) is N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OCCSc2ccccc2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is ZIQGUDZDMXUVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO2S/c22-19-11-8-16(14-20(19)23)24-21(25)15-6-9-17(10-7-15)26-12-13-27-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,24,25).
What are the key properties of N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide?
N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 418.35 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 28578298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).