N-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide

C14H14FNO2S — CID 23914568

IUPACN-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
SMILESCC(SCc1ccco1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c1-10(19-9-13-3-2-8-18-13)14(17)16-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyPITKWGWKKOCPGU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.68
Rot. Bonds5

About N-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide

N-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide (PubChem CID 23914568) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
PubChem CID23914568
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC NameN-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
SMILESCC(SCc1ccco1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c1-10(19-9-13-3-2-8-18-13)14(17)16-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyPITKWGWKKOCPGU-UHFFFAOYSA-N
XLogP3.68
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide (CID 23914568) is N-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide is CC(SCc1ccco1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
The InChIKey is PITKWGWKKOCPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-10(19-9-13-3-2-8-18-13)14(17)16-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of N-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide?
N-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 23914568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).