N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide

C17H17F2NOS — CID 134017107

IUPACN-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(C)c(CSCC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H17F2NOS/c1-11-3-4-12(2)13(7-11)9-22-10-17(21)20-16-6-5-14(18)8-15(16)19/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyAFZCPFIGEUFYGS-UHFFFAOYSA-N
MW321.39 g/mol
LogP4.45
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide

N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide (PubChem CID 134017107) has the molecular formula C17H17F2NOS and a molecular weight of 321.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide
PubChem CID134017107
Molecular FormulaC17H17F2NOS
Molecular Weight321.39 g/mol
Exact Mass321.10
IUPAC NameN-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(C)c(CSCC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H17F2NOS/c1-11-3-4-12(2)13(7-11)9-22-10-17(21)20-16-6-5-14(18)8-15(16)19/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyAFZCPFIGEUFYGS-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966249
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 134016978
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2732308
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969
methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]acetate
CID 78765913
N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 52644992
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
2-[(2-ethoxyphenyl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 18084613
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 8712604
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide (CID 134017107) is N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide is Cc1ccc(C)c(CSCC(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide?
The InChIKey is AFZCPFIGEUFYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NOS/c1-11-3-4-12(2)13(7-11)9-22-10-17(21)20-16-6-5-14(18)8-15(16)19/h3-8H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide has a molecular weight of 321.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 134017107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).