N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

C16H15F2NOS — CID 2616259

IUPACN-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C16H15F2NOS/c1-10-6-7-11(2)14(8-10)21-9-15(20)19-16-12(17)4-3-5-13(16)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeySGJLCCLKDIRONV-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.31
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 2616259) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
PubChem CID2616259
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC NameN-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C16H15F2NOS/c1-10-6-7-11(2)14(8-10)21-9-15(20)19-16-12(17)4-3-5-13(16)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeySGJLCCLKDIRONV-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (CID 2616259) is N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide is Cc1ccc(C)c(SCC(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is SGJLCCLKDIRONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c1-10-6-7-11(2)14(8-10)21-9-15(20)19-16-12(17)4-3-5-13(16)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide has a molecular weight of 307.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2616259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).