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

C18H20FNO2S — CID 8966249

IUPACN-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(F)cc1CSCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C18H20FNO2S/c1-12-4-6-16(13(2)8-12)20-18(21)11-23-10-14-9-15(19)5-7-17(14)22-3/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeySYIRKTMXHOOMHW-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.32
Rot. Bonds6

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

N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide (PubChem CID 8966249) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
PubChem CID8966249
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC NameN-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(F)cc1CSCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C18H20FNO2S/c1-12-4-6-16(13(2)8-12)20-18(21)11-23-10-14-9-15(19)5-7-17(14)22-3/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeySYIRKTMXHOOMHW-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8966348
N-(2-chloro-4,6-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966903
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966479
N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide
CID 134017107
N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8966272
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785524
N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966690
[(1S)-1-(4-fluorophenyl)ethyl] 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 7429835
N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087808

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide (CID 8966249) is N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide is COc1ccc(F)cc1CSCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
The InChIKey is SYIRKTMXHOOMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-12-4-6-16(13(2)8-12)20-18(21)11-23-10-14-9-15(19)5-7-17(14)22-3/h4-9H,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 8966249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).