N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide

C18H19F2NOS — CID 7468628

IUPACN-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
SMILESCc1cc(C)c(C)c(SCC(=O)Nc2c(F)cccc2F)c1C
InChIInChI=1S/C18H19F2NOS/c1-10-8-11(2)13(4)18(12(10)3)23-9-16(22)21-17-14(19)6-5-7-15(17)20/h5-8H,9H2,1-4H3,(H,21,22)
InChIKeyBEDMOKPILDAQST-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.93
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide

N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide (PubChem CID 7468628) has the molecular formula C18H19F2NOS and a molecular weight of 335.42 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
PubChem CID7468628
Molecular FormulaC18H19F2NOS
Molecular Weight335.42 g/mol
Exact Mass335.12
IUPAC NameN-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
SMILESCc1cc(C)c(C)c(SCC(=O)Nc2c(F)cccc2F)c1C
InChIInChI=1S/C18H19F2NOS/c1-10-8-11(2)13(4)18(12(10)3)23-9-16(22)21-17-14(19)6-5-7-15(17)20/h5-8H,9H2,1-4H3,(H,21,22)
InChIKeyBEDMOKPILDAQST-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616259
N-(2,6-difluorophenyl)-2-phenylsulfanylacetamide
CID 956399
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
N-(2,6-difluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 7284421
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2536490
N-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2507443
N-(2-acetylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468515
N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide
CID 62808904
N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide
CID 39395142
2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide
CID 66217561
N-(2,6-difluorophenyl)-2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17019621

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide (CID 7468628) is N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide is Cc1cc(C)c(C)c(SCC(=O)Nc2c(F)cccc2F)c1C.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The InChIKey is BEDMOKPILDAQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NOS/c1-10-8-11(2)13(4)18(12(10)3)23-9-16(22)21-17-14(19)6-5-7-15(17)20/h5-8H,9H2,1-4H3,(H,21,22).
What are the key properties of N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide has a molecular weight of 335.42 g/mol, XLogP of 4.93, 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-(2,3,5,6-tetramethylphenyl)sulfanylacetamide is sourced from PubChem (CID 7468628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).