N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide

C17H17FN2O2S — CID 18153979

IUPACN-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2S/c1-12(21)20-15-6-2-13(3-7-15)10-19-17(22)11-23-16-8-4-14(18)5-9-16/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyZOTYGMOOYKBYQZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.19
Rot. Bonds6

About N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide

N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 18153979) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID18153979
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2S/c1-12(21)20-15-6-2-13(3-7-15)10-19-17(22)11-23-16-8-4-14(18)5-9-16/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyZOTYGMOOYKBYQZ-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 2537006
2-(4-acetamidophenyl)sulfanyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 17438919
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide
CID 17432923
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide
CID 51332839
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60537701

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide (CID 18153979) is N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide is CC(=O)Nc1ccc(CNC(=O)CSc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is ZOTYGMOOYKBYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-12(21)20-15-6-2-13(3-7-15)10-19-17(22)11-23-16-8-4-14(18)5-9-16/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 332.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 18153979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).