2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide

C24H25NO2S — CID 2296331

IUPAC2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide
SMILESCCc1ccc(OCCNC(=O)c2ccccc2SCc2ccccc2)cc1
InChIInChI=1S/C24H25NO2S/c1-2-19-12-14-21(15-13-19)27-17-16-25-24(26)22-10-6-7-11-23(22)28-18-20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,25,26)
InChIKeyFUGBPSJCFKIHQY-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.35
Rot. Bonds9

About 2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide

2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide (PubChem CID 2296331) has the molecular formula C24H25NO2S and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide
PubChem CID2296331
Molecular FormulaC24H25NO2S
Molecular Weight391.54 g/mol
Exact Mass391.16
IUPAC Name2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide
SMILESCCc1ccc(OCCNC(=O)c2ccccc2SCc2ccccc2)cc1
InChIInChI=1S/C24H25NO2S/c1-2-19-12-14-21(15-13-19)27-17-16-25-24(26)22-10-6-7-11-23(22)28-18-20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,25,26)
InChIKeyFUGBPSJCFKIHQY-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.35
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

4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2222949
2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2225978
2-(benzylsulfanyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 1959067
3-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 1580663
N-[2-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146379
4-methoxy-N-{2-[(2-methylphenyl)thio]ethyl}benzamide
CID 2216639
N-[2-(2-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
CID 2287344
N-[2-(4-methoxyphenyl)ethyl]-2-(methylthio)benzamide
CID 2976194
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-propoxybenzamide
CID 16330939
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxybenzamide
CID 18115526
N-[2-(2-Fluorophenoxy)ethyl]-2-[[(4-fluorophenyl)methyl]thio]benzamide
CID 573357
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-(methylthio)benzamide
CID 614251

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide (CID 2296331) is 2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide is CCc1ccc(OCCNC(=O)c2ccccc2SCc2ccccc2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide?
The InChIKey is FUGBPSJCFKIHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2S/c1-2-19-12-14-21(15-13-19)27-17-16-25-24(26)22-10-6-7-11-23(22)28-18-20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,25,26).
What are the key properties of 2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide?
2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide has a molecular weight of 391.54 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-(4-ethylphenoxy)ethyl]benzamide is sourced from PubChem (CID 2296331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).