N-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide

C17H18FNO2S — CID 30865902

IUPACN-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCOc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c18-14-6-8-15(9-7-14)21-12-11-19-17(20)10-13-22-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,19,20)
InChIKeyGPMVMGCKKIYMMN-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.50
Rot. Bonds8

About N-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide

N-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide (PubChem CID 30865902) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide
PubChem CID30865902
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCOc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c18-14-6-8-15(9-7-14)21-12-11-19-17(20)10-13-22-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,19,20)
InChIKeyGPMVMGCKKIYMMN-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide (CID 30865902) is N-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide?
The InChIKey is GPMVMGCKKIYMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-14-6-8-15(9-7-14)21-12-11-19-17(20)10-13-22-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,19,20).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide?
N-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide has a molecular weight of 319.40 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 30865902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).