2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

C17H18FNO2S — CID 32601269

IUPAC2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccccc1CNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c1-21-11-14-5-3-2-4-13(14)10-19-17(20)12-22-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyWOKRDFQVKJSAKK-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.38
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 32601269) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID32601269
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccccc1CNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c1-21-11-14-5-3-2-4-13(14)10-19-17(20)12-22-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyWOKRDFQVKJSAKK-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (CID 32601269) is 2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is COCc1ccccc1CNC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is WOKRDFQVKJSAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-21-11-14-5-3-2-4-13(14)10-19-17(20)12-22-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 319.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 32601269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).