5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

C21H20FNO3S — CID 3505696

IUPAC5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(CSCc2cccc(F)c2)o1
InChIInChI=1S/C21H20FNO3S/c1-25-19-8-3-2-6-16(19)12-23-21(24)20-10-9-18(26-20)14-27-13-15-5-4-7-17(22)11-15/h2-11H,12-14H2,1H3,(H,23,24)
InChIKeyJRIDNEAMYBLYOK-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.79
Rot. Bonds8

About 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 3505696) has the molecular formula C21H20FNO3S and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID3505696
Molecular FormulaC21H20FNO3S
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC Name5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(CSCc2cccc(F)c2)o1
InChIInChI=1S/C21H20FNO3S/c1-25-19-8-3-2-6-16(19)12-23-21(24)20-10-9-18(26-20)14-27-13-15-5-4-7-17(22)11-15/h2-11H,12-14H2,1H3,(H,23,24)
InChIKeyJRIDNEAMYBLYOK-UHFFFAOYSA-N
XLogP4.79
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046099
N-[(5-bromo-2-methoxyphenyl)methyl]-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4533618
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
5-chloro-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 32739421
N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3432253
N-[(2-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 3242702
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
N-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31491727
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 4606194
(3-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 8909166
N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859588

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (CID 3505696) is 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(CSCc2cccc(F)c2)o1.
What is the InChIKey of 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is JRIDNEAMYBLYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3S/c1-25-19-8-3-2-6-16(19)12-23-21(24)20-10-9-18(26-20)14-27-13-15-5-4-7-17(22)11-15/h2-11H,12-14H2,1H3,(H,23,24).
What are the key properties of 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3505696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).