N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide

C24H24FNO2S — CID 2174469

IUPACN-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide
SMILESCCc1ccc(OCCNC(=O)c2ccccc2SCc2ccc(F)cc2)cc1
InChIInChI=1S/C24H24FNO2S/c1-2-18-9-13-21(14-10-18)28-16-15-26-24(27)22-5-3-4-6-23(22)29-17-19-7-11-20(25)12-8-19/h3-14H,2,15-17H2,1H3,(H,26,27)
InChIKeyKRJGFSYZMVBTTC-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.49
Rot. Bonds9

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

N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide (PubChem CID 2174469) has the molecular formula C24H24FNO2S and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide
PubChem CID2174469
Molecular FormulaC24H24FNO2S
Molecular Weight409.53 g/mol
Exact Mass409.15
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide
SMILESCCc1ccc(OCCNC(=O)c2ccccc2SCc2ccc(F)cc2)cc1
InChIInChI=1S/C24H24FNO2S/c1-2-18-9-13-21(14-10-18)28-16-15-26-24(27)22-5-3-4-6-23(22)29-17-19-7-11-20(25)12-8-19/h3-14H,2,15-17H2,1H3,(H,26,27)
InChIKeyKRJGFSYZMVBTTC-UHFFFAOYSA-N
XLogP5.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.49
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

2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2225978
2-(benzylsulfanyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 1959067
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-methylphenoxy)ethyl]-2-(methylthio)benzamide
CID 2295662
N-(4-methoxybenzyl)-2-(methylthio)benzamide
CID 1265563
N-[2-(4-methoxyphenyl)ethyl]-5-[(phenylsulfanyl)methyl]furan-2-carboxamide
CID 2146644

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide (CID 2174469) is N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide is CCc1ccc(OCCNC(=O)c2ccccc2SCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide?
The InChIKey is KRJGFSYZMVBTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2S/c1-2-18-9-13-21(14-10-18)28-16-15-26-24(27)22-5-3-4-6-23(22)29-17-19-7-11-20(25)12-8-19/h3-14H,2,15-17H2,1H3,(H,26,27).
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide?
N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide is sourced from PubChem (CID 2174469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).