5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide

C18H16FNO3S — CID 46423641

IUPAC5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide
SMILESO=C(NCCc1ccsc1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C18H16FNO3S/c19-14-1-3-15(4-2-14)22-11-16-5-6-17(23-16)18(21)20-9-7-13-8-10-24-12-13/h1-6,8,10,12H,7,9,11H2,(H,20,21)
InChIKeyISBPICOMUMAMCS-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.03
Rot. Bonds7

About 5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide (PubChem CID 46423641) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide
PubChem CID46423641
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide
SMILESO=C(NCCc1ccsc1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C18H16FNO3S/c19-14-1-3-15(4-2-14)22-11-16-5-6-17(23-16)18(21)20-9-7-13-8-10-24-12-13/h1-6,8,10,12H,7,9,11H2,(H,20,21)
InChIKeyISBPICOMUMAMCS-UHFFFAOYSA-N
XLogP4.03
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
5-[(4-fluorophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide
CID 119533354
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43071369
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
5-[(4-fluorophenoxy)methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 39731102
5-[(4-fluorophenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]furan-2-carboxamide
CID 87041338
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
5-[(4-fluorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 19297951
5-[(4-methylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2200397
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 126200596

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide (CID 46423641) is 5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide is O=C(NCCc1ccsc1)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide?
The InChIKey is ISBPICOMUMAMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c19-14-1-3-15(4-2-14)22-11-16-5-6-17(23-16)18(21)20-9-7-13-8-10-24-12-13/h1-6,8,10,12H,7,9,11H2,(H,20,21).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-(2-thiophen-3-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 46423641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).