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

C21H17FN2O3S — CID 49363809

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc(Oc3ccncc3)cc2)c(F)c1
InChIInChI=1S/C21H17FN2O3S/c1-14(25)15-2-7-20(19(22)12-15)28-13-21(26)24-16-3-5-17(6-4-16)27-18-8-10-23-11-9-18/h2-12H,13H2,1H3,(H,24,26)
InChIKeyQQSNKKPGVXZHEP-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.95
Rot. Bonds7

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

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide (PubChem CID 49363809) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide
PubChem CID49363809
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2ccc(Oc3ccncc3)cc2)c(F)c1
InChIInChI=1S/C21H17FN2O3S/c1-14(25)15-2-7-20(19(22)12-15)28-13-21(26)24-16-3-5-17(6-4-16)27-18-8-10-23-11-9-18/h2-12H,13H2,1H3,(H,24,26)
InChIKeyQQSNKKPGVXZHEP-UHFFFAOYSA-N
XLogP4.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 35830804
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-amino-3,5-dichlorophenyl)acetamide
CID 51193247
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34192175
(4-benzamidophenyl) 2-(4-acetyl-2-fluorophenyl)sulfanylacetate
CID 35598335
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide
CID 29330895
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide
CID 34184863
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 43000335
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 51149797
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 31482762
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 51334533

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide (CID 49363809) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide is CC(=O)c1ccc(SCC(=O)Nc2ccc(Oc3ccncc3)cc2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide?
The InChIKey is QQSNKKPGVXZHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c1-14(25)15-2-7-20(19(22)12-15)28-13-21(26)24-16-3-5-17(6-4-16)27-18-8-10-23-11-9-18/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide has a molecular weight of 396.44 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide is sourced from PubChem (CID 49363809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).