2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide

C16H16F2N2O2S — CID 17471854

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCc1cc(C)c(CNC(=O)CSc2ccc(F)c(F)c2)c(=O)[nH]1
InChIInChI=1S/C16H16F2N2O2S/c1-9-5-10(2)20-16(22)12(9)7-19-15(21)8-23-11-3-4-13(17)14(18)6-11/h3-6H,7-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRPOPFGAABRGKSL-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.68
Rot. Bonds5

About 2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide

2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide (PubChem CID 17471854) has the molecular formula C16H16F2N2O2S and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
PubChem CID17471854
Molecular FormulaC16H16F2N2O2S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCc1cc(C)c(CNC(=O)CSc2ccc(F)c(F)c2)c(=O)[nH]1
InChIInChI=1S/C16H16F2N2O2S/c1-9-5-10(2)20-16(22)12(9)7-19-15(21)8-23-11-3-4-13(17)14(18)6-11/h3-6H,7-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRPOPFGAABRGKSL-UHFFFAOYSA-N
XLogP2.68
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide (CID 17471854) is 2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide is Cc1cc(C)c(CNC(=O)CSc2ccc(F)c(F)c2)c(=O)[nH]1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The InChIKey is RPOPFGAABRGKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2S/c1-9-5-10(2)20-16(22)12(9)7-19-15(21)8-23-11-3-4-13(17)14(18)6-11/h3-6H,7-8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide has a molecular weight of 338.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 17471854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).