3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide

C21H20FNO2S — CID 55909368

IUPAC3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(SCc1cccc(C(=O)NCc2ccco2)c1)c1ccccc1F
InChIInChI=1S/C21H20FNO2S/c1-15(19-9-2-3-10-20(19)22)26-14-16-6-4-7-17(12-16)21(24)23-13-18-8-5-11-25-18/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyMVOBFPWYMAJNSL-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.34
Rot. Bonds7

About 3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide

3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55909368) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID55909368
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC Name3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
SMILESCC(SCc1cccc(C(=O)NCc2ccco2)c1)c1ccccc1F
InChIInChI=1S/C21H20FNO2S/c1-15(19-9-2-3-10-20(19)22)26-14-16-6-4-7-17(12-16)21(24)23-13-18-8-5-11-25-18/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyMVOBFPWYMAJNSL-UHFFFAOYSA-N
XLogP5.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide
CID 111463790
1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053947
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-[(5-methylpyrimidin-2-yl)sulfanylmethyl]benzamide
CID 47061692
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55847820
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
N-(furan-2-ylmethyl)-3-[(1-thiophen-2-ylethylamino)methyl]benzamide
CID 84588055
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 111058452

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide (CID 55909368) is 3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide is CC(SCc1cccc(C(=O)NCc2ccco2)c1)c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is MVOBFPWYMAJNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2S/c1-15(19-9-2-3-10-20(19)22)26-14-16-6-4-7-17(12-16)21(24)23-13-18-8-5-11-25-18/h2-12,15H,13-14H2,1H3,(H,23,24).
What are the key properties of 3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide?
3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 369.46 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)ethylsulfanylmethyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55909368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).