2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide

C17H17FN2O2S — CID 51164073

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCCc2ccccn2)c(F)c1
InChIInChI=1S/C17H17FN2O2S/c1-12(21)13-5-6-16(15(18)10-13)23-11-17(22)20-9-7-14-4-2-3-8-19-14/h2-6,8,10H,7,9,11H2,1H3,(H,20,22)
InChIKeyRDJOMHPEMQQQDI-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.87
Rot. Bonds7

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 51164073) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID51164073
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCCc2ccccn2)c(F)c1
InChIInChI=1S/C17H17FN2O2S/c1-12(21)13-5-6-16(15(18)10-13)23-11-17(22)20-9-7-14-4-2-3-8-19-14/h2-6,8,10H,7,9,11H2,1H3,(H,20,22)
InChIKeyRDJOMHPEMQQQDI-UHFFFAOYSA-N
XLogP2.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51142957
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 31482762
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
CID 35612850
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 71991875
2-(4-acetylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 24607642
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 51149797
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide
CID 29330895
2-(2,4-difluorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 31971931
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 9347617

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide (CID 51164073) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide is CC(=O)c1ccc(SCC(=O)NCCc2ccccn2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is RDJOMHPEMQQQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-12(21)13-5-6-16(15(18)10-13)23-11-17(22)20-9-7-14-4-2-3-8-19-14/h2-6,8,10H,7,9,11H2,1H3,(H,20,22).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 51164073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).