2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide

C20H17FN2OS — CID 3681818

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2SCc2ccc(F)cc2)n1
InChIInChI=1S/C20H17FN2OS/c1-14-5-4-8-19(22-14)23-20(24)17-6-2-3-7-18(17)25-13-15-9-11-16(21)12-10-15/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeyDRJOFNBDQINBRG-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.07
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide

2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 3681818) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID3681818
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2SCc2ccc(F)cc2)n1
InChIInChI=1S/C20H17FN2OS/c1-14-5-4-8-19(22-14)23-20(24)17-6-2-3-7-18(17)25-13-15-9-11-16(21)12-10-15/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeyDRJOFNBDQINBRG-UHFFFAOYSA-N
XLogP5.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide (CID 3681818) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2ccccc2SCc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is DRJOFNBDQINBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c1-14-5-4-8-19(22-14)23-20(24)17-6-2-3-7-18(17)25-13-15-9-11-16(21)12-10-15/h2-12H,13H2,1H3,(H,22,23,24).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 3681818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).