2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide

C15H14FNOS — CID 893363

IUPAC2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNOS/c1-11-2-6-13(7-3-11)17-15(18)10-19-14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPAMOKXXUSBEDKA-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.86
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 893363) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID893363
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNOS/c1-11-2-6-13(7-3-11)17-15(18)10-19-14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyPAMOKXXUSBEDKA-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide (CID 893363) is 2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is PAMOKXXUSBEDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-11-2-6-13(7-3-11)17-15(18)10-19-14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 893363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).