2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide

C18H18FNO2S — CID 35612850

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCc2ccccc2C)c(F)c1
InChIInChI=1S/C18H18FNO2S/c1-12-5-3-4-6-15(12)10-20-18(22)11-23-17-8-7-14(13(2)21)9-16(17)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyYSPAZZKPMBUWSB-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.75
Rot. Bonds6

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 35612850) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
PubChem CID35612850
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCc2ccccc2C)c(F)c1
InChIInChI=1S/C18H18FNO2S/c1-12-5-3-4-6-15(12)10-20-18(22)11-23-17-8-7-14(13(2)21)9-16(17)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyYSPAZZKPMBUWSB-UHFFFAOYSA-N
XLogP3.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
CID 35432170
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 31504901
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 51146548
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51142957
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 51149797
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
CID 51164073
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046111
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
2-(2-amino-3-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 79131216
2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 43302482
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide (CID 35612850) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide is CC(=O)c1ccc(SCC(=O)NCc2ccccc2C)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is YSPAZZKPMBUWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2S/c1-12-5-3-4-6-15(12)10-20-18(22)11-23-17-8-7-14(13(2)21)9-16(17)19/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 331.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 35612850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).