2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

C23H18FN3O2S — CID 55387670

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2c(-c3ccccc3)nc3ccccn23)c(F)c1
InChIInChI=1S/C23H18FN3O2S/c1-15(28)17-10-11-19(18(24)13-17)30-14-21(29)26-23-22(16-7-3-2-4-8-16)25-20-9-5-6-12-27(20)23/h2-13H,14H2,1H3,(H,26,29)
InChIKeyPJJPDRDFHNGVFS-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.07
Rot. Bonds6

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 55387670) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID55387670
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)Nc2c(-c3ccccc3)nc3ccccn23)c(F)c1
InChIInChI=1S/C23H18FN3O2S/c1-15(28)17-10-11-19(18(24)13-17)30-14-21(29)26-23-22(16-7-3-2-4-8-16)25-20-9-5-6-12-27(20)23/h2-13H,14H2,1H3,(H,26,29)
InChIKeyPJJPDRDFHNGVFS-UHFFFAOYSA-N
XLogP5.07
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 18278657
N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylsulfanylacetamide
CID 42693934
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide
CID 29330895
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pentanamide
CID 3828486
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 1261878
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 134050030
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
CID 35432170
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methoxyacetamide
CID 42694150
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
N-[2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methylpropanamide
CID 42694469
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-(4-fluorophenyl)acetamide
CID 42693738
3,4,5-trimethoxy-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3378236

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 55387670) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is CC(=O)c1ccc(SCC(=O)Nc2c(-c3ccccc3)nc3ccccn23)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is PJJPDRDFHNGVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c1-15(28)17-10-11-19(18(24)13-17)30-14-21(29)26-23-22(16-7-3-2-4-8-16)25-20-9-5-6-12-27(20)23/h2-13H,14H2,1H3,(H,26,29).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 419.48 g/mol, XLogP of 5.07, 6 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-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 55387670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).