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

C20H18FNO2S — CID 56764120

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C20H18FNO2S/c21-15-8-10-16(11-9-15)25-13-20(24)22-12-19(23)18-7-3-5-14-4-1-2-6-17(14)18/h1-11,19,23H,12-13H2,(H,22,24)
InChIKeySCJGMJBKSAALBO-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.92
Rot. Bonds6

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

2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide (PubChem CID 56764120) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
PubChem CID56764120
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C20H18FNO2S/c21-15-8-10-16(11-9-15)25-13-20(24)22-12-19(23)18-7-3-5-14-4-1-2-6-17(14)18/h1-11,19,23H,12-13H2,(H,22,24)
InChIKeySCJGMJBKSAALBO-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.92
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-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide (CID 56764120) is 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide is O=C(CSc1ccc(F)cc1)NCC(O)c1cccc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide?
The InChIKey is SCJGMJBKSAALBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c21-15-8-10-16(11-9-15)25-13-20(24)22-12-19(23)18-7-3-5-14-4-1-2-6-17(14)18/h1-11,19,23H,12-13H2,(H,22,24).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide has a molecular weight of 355.43 g/mol, XLogP of 3.92, 6 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-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 56764120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).