2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide

C21H20FNO2S — CID 90524416

IUPAC2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C21H20FNO2S/c22-16-8-10-17(11-9-16)26-14-21(25)23-13-12-20(24)19-7-3-5-15-4-1-2-6-18(15)19/h1-11,20,24H,12-14H2,(H,23,25)
InChIKeyPAQXYOYGUXQSHN-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.31
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide (PubChem CID 90524416) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide
PubChem CID90524416
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C21H20FNO2S/c22-16-8-10-17(11-9-16)26-14-21(25)23-13-12-20(24)19-7-3-5-15-4-1-2-6-18(15)19/h1-11,20,24H,12-14H2,(H,23,25)
InChIKeyPAQXYOYGUXQSHN-UHFFFAOYSA-N
XLogP4.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide (CID 90524416) is 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide is O=C(CSc1ccc(F)cc1)NCCC(O)c1cccc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide?
The InChIKey is PAQXYOYGUXQSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2S/c22-16-8-10-17(11-9-16)26-14-21(25)23-13-12-20(24)19-7-3-5-15-4-1-2-6-18(15)19/h1-11,20,24H,12-14H2,(H,23,25).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide has a molecular weight of 369.46 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(3-hydroxy-3-naphthalen-1-ylpropyl)acetamide is sourced from PubChem (CID 90524416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).