4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one

C21H20F2N2O2S — CID 46112886

IUPAC4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C21H20F2N2O2S/c22-16-3-1-15(2-4-16)13-19(26)24-11-9-21(10-12-24)25(20(27)14-28-21)18-7-5-17(23)6-8-18/h1-8H,9-14H2
InChIKeyRKVWYOJQFQWKNJ-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.61
Rot. Bonds3

About 4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one

4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 46112886) has the molecular formula C21H20F2N2O2S and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID46112886
Molecular FormulaC21H20F2N2O2S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C21H20F2N2O2S/c22-16-3-1-15(2-4-16)13-19(26)24-11-9-21(10-12-24)25(20(27)14-28-21)18-7-5-17(23)6-8-18/h1-8H,9-14H2
InChIKeyRKVWYOJQFQWKNJ-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-8-(3-phenylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112861
4-(4-chlorophenyl)-8-(3,3-dimethylbutanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112815
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
8-benzoyl-4-phenyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 42880770
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
N-(4-ethylphenyl)-4-(4-methoxyphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42882941
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
4-(4-chlorophenyl)-8-(cyclohexanecarbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112809
2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721522
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 46112886) is 4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one is O=C(Cc1ccc(F)cc1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is RKVWYOJQFQWKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2S/c22-16-3-1-15(2-4-16)13-19(26)24-11-9-21(10-12-24)25(20(27)14-28-21)18-7-5-17(23)6-8-18/h1-8H,9-14H2.
What are the key properties of 4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 402.47 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46112886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).