3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide

C18H20FNO2S — CID 90581893

IUPAC3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc(C(O)CNC(=O)CCc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO2S/c1-23-15-9-6-14(7-10-15)17(21)12-20-18(22)11-8-13-4-2-3-5-16(13)19/h2-7,9-10,17,21H,8,11-12H2,1H3,(H,20,22)
InChIKeyUAUXIXPXRMLMQF-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.33
Rot. Bonds7

About 3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide

3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide (PubChem CID 90581893) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide
PubChem CID90581893
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc(C(O)CNC(=O)CCc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO2S/c1-23-15-9-6-14(7-10-15)17(21)12-20-18(22)11-8-13-4-2-3-5-16(13)19/h2-7,9-10,17,21H,8,11-12H2,1H3,(H,20,22)
InChIKeyUAUXIXPXRMLMQF-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide (CID 90581893) is 3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide is CSc1ccc(C(O)CNC(=O)CCc2ccccc2F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide?
The InChIKey is UAUXIXPXRMLMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-23-15-9-6-14(7-10-15)17(21)12-20-18(22)11-8-13-4-2-3-5-16(13)19/h2-7,9-10,17,21H,8,11-12H2,1H3,(H,20,22).
What are the key properties of 3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide?
3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide has a molecular weight of 333.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide is sourced from PubChem (CID 90581893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).