2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide

C15H13F2NOS — CID 563029

IUPAC2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H13F2NOS/c16-12-6-7-14(13(17)8-12)18-15(19)10-20-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyXMBWIPBTMJROMZ-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.84
Rot. Bonds5

About 2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide

2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide (PubChem CID 563029) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide
PubChem CID563029
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H13F2NOS/c16-12-6-7-14(13(17)8-12)18-15(19)10-20-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)
InChIKeyXMBWIPBTMJROMZ-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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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide (CID 563029) is 2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide is O=C(CSCc1ccccc1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide?
The InChIKey is XMBWIPBTMJROMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c16-12-6-7-14(13(17)8-12)18-15(19)10-20-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide?
2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide 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-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 563029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).