N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C20H19FN2O3S — CID 134024628

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(NCCSCc1ccccc1F)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C20H19FN2O3S/c21-17-6-2-1-5-15(17)14-27-12-10-22-20(25)18-9-8-16(26-18)13-23-11-4-3-7-19(23)24/h1-9,11H,10,12-14H2,(H,22,25)
InChIKeyWPAHOXMZIHRSKZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.29
Rot. Bonds8

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 134024628) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
PubChem CID134024628
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(NCCSCc1ccccc1F)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C20H19FN2O3S/c21-17-6-2-1-5-15(17)14-27-12-10-22-20(25)18-9-8-16(26-18)13-23-11-4-3-7-19(23)24/h1-9,11H,10,12-14H2,(H,22,25)
InChIKeyWPAHOXMZIHRSKZ-UHFFFAOYSA-N
XLogP3.29
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 134024628) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is O=C(NCCSCc1ccccc1F)c1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is WPAHOXMZIHRSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c21-17-6-2-1-5-15(17)14-27-12-10-22-20(25)18-9-8-16(26-18)13-23-11-4-3-7-19(23)24/h1-9,11H,10,12-14H2,(H,22,25).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 134024628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).