N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide

C19H22FNO2S — CID 71810628

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide
SMILESCOC(C)(CNC(=O)CCSc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H22FNO2S/c1-19(23-2,16-10-6-7-11-17(16)20)14-21-18(22)12-13-24-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,22)
InChIKeyPKVGKCQZVKRHDY-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.99
Rot. Bonds8

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide (PubChem CID 71810628) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide
PubChem CID71810628
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide
SMILESCOC(C)(CNC(=O)CCSc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H22FNO2S/c1-19(23-2,16-10-6-7-11-17(16)20)14-21-18(22)12-13-24-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,22)
InChIKeyPKVGKCQZVKRHDY-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide (CID 71810628) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide is COC(C)(CNC(=O)CCSc1ccccc1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide?
The InChIKey is PKVGKCQZVKRHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-19(23-2,16-10-6-7-11-17(16)20)14-21-18(22)12-13-24-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 71810628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).