2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide

C22H23F2NO2S — CID 55745773

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCC2(c3ccc(F)cc3)CCCC2)c(F)c1
InChIInChI=1S/C22H23F2NO2S/c1-15(26)16-4-9-20(19(24)12-16)28-13-21(27)25-14-22(10-2-3-11-22)17-5-7-18(23)8-6-17/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,25,27)
InChIKeyCOTIEWADZPBMPJ-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.89
Rot. Bonds7

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide (PubChem CID 55745773) has the molecular formula C22H23F2NO2S and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
PubChem CID55745773
Molecular FormulaC22H23F2NO2S
Molecular Weight403.49 g/mol
Exact Mass403.14
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCC2(c3ccc(F)cc3)CCCC2)c(F)c1
InChIInChI=1S/C22H23F2NO2S/c1-15(26)16-4-9-20(19(24)12-16)28-13-21(27)25-14-22(10-2-3-11-22)17-5-7-18(23)8-6-17/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,25,27)
InChIKeyCOTIEWADZPBMPJ-UHFFFAOYSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide (CID 55745773) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide is CC(=O)c1ccc(SCC(=O)NCC2(c3ccc(F)cc3)CCCC2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
The InChIKey is COTIEWADZPBMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2NO2S/c1-15(26)16-4-9-20(19(24)12-16)28-13-21(27)25-14-22(10-2-3-11-22)17-5-7-18(23)8-6-17/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,25,27).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 4.89, 7 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-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 55745773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).