2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide

C15H13F2NOS — CID 872566

IUPAC2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCc1c(F)cccc1F)Nc1ccccc1
InChIInChI=1S/C15H13F2NOS/c16-13-7-4-8-14(17)12(13)9-20-10-15(19)18-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyPYJVCRHKZHSKOR-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.84
Rot. Bonds5

About 2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide

2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide (PubChem CID 872566) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide
PubChem CID872566
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCc1c(F)cccc1F)Nc1ccccc1
InChIInChI=1S/C15H13F2NOS/c16-13-7-4-8-14(17)12(13)9-20-10-15(19)18-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyPYJVCRHKZHSKOR-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ST094272
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CID 95301

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide (CID 872566) is 2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide is O=C(CSCc1c(F)cccc1F)Nc1ccccc1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide?
The InChIKey is PYJVCRHKZHSKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c16-13-7-4-8-14(17)12(13)9-20-10-15(19)18-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide?
2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide has a molecular weight of 293.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methylsulfanyl]-N-phenylacetamide is sourced from PubChem (CID 872566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).