N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide

C25H27NO2S — CID 28635770

IUPACN-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C25H27NO2S/c1-3-19-9-8-10-20(4-2)24(19)26-25(27)21-13-15-22(16-14-21)28-17-18-29-23-11-6-5-7-12-23/h5-16H,3-4,17-18H2,1-2H3,(H,26,27)
InChIKeyOPZWFPNEYOWRAY-UHFFFAOYSA-N
MW405.56 g/mol
LogP6.23
Rot. Bonds9

About N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide

N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 28635770) has the molecular formula C25H27NO2S and a molecular weight of 405.56 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID28635770
Molecular FormulaC25H27NO2S
Molecular Weight405.56 g/mol
Exact Mass405.18
IUPAC NameN-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C25H27NO2S/c1-3-19-9-8-10-20(4-2)24(19)26-25(27)21-13-15-22(16-14-21)28-17-18-29-23-11-6-5-7-12-23/h5-16H,3-4,17-18H2,1-2H3,(H,26,27)
InChIKeyOPZWFPNEYOWRAY-UHFFFAOYSA-N
XLogP6.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 56.23
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-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479
N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 53284080
N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28571355
ethyl 2-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzoate
CID 92675667
N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909345
N-[3-(2-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46762989
N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28578298
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylsulfanylethoxy)benzamide
CID 100770222
N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 30392683

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide (CID 28635770) is N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide is CCc1cccc(CC)c1NC(=O)c1ccc(OCCSc2ccccc2)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is OPZWFPNEYOWRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2S/c1-3-19-9-8-10-20(4-2)24(19)26-25(27)21-13-15-22(16-14-21)28-17-18-29-23-11-6-5-7-12-23/h5-16H,3-4,17-18H2,1-2H3,(H,26,27).
What are the key properties of N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide?
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 405.56 g/mol, XLogP of 6.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 28635770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).