2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide

C18H20FNOS — CID 3324373

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)CSCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNOS/c1-14-2-4-15(5-3-14)10-11-20-18(21)13-22-12-16-6-8-17(19)9-7-16/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyDWJQTGBHELAFKU-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.73
Rot. Bonds7

About 2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide (PubChem CID 3324373) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide
PubChem CID3324373
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)CSCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNOS/c1-14-2-4-15(5-3-14)10-11-20-18(21)13-22-12-16-6-8-17(19)9-7-16/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyDWJQTGBHELAFKU-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide (CID 3324373) is 2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide is Cc1ccc(CCNC(=O)CSCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide?
The InChIKey is DWJQTGBHELAFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-14-2-4-15(5-3-14)10-11-20-18(21)13-22-12-16-6-8-17(19)9-7-16/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 3324373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).