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

C16H15F2NO2S — CID 8965975

IUPAC2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(F)cc1CSCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2S/c1-21-15-7-4-13(18)8-11(15)9-22-10-16(20)19-14-5-2-12(17)3-6-14/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyULKQYKYAGVTVEU-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.85
Rot. Bonds6

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

2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 8965975) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID8965975
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(F)cc1CSCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2S/c1-21-15-7-4-13(18)8-11(15)9-22-10-16(20)19-14-5-2-12(17)3-6-14/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyULKQYKYAGVTVEU-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8966272
N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966690
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8966348
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966249
N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966479
(5-fluoro-2-methoxyphenyl)methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 7684392
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
CID 24536642
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide
CID 8968994
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8969526
N-(2-chloro-4,6-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966903
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9427535

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide (CID 8965975) is 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide is COc1ccc(F)cc1CSCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is ULKQYKYAGVTVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c1-21-15-7-4-13(18)8-11(15)9-22-10-16(20)19-14-5-2-12(17)3-6-14/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide?
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 323.36 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 8965975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).