N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide

C19H20FN5O3S — CID 8002445

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1-c1cccc(F)c1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C19H20FN5O3S/c20-13-5-4-6-14(11-13)24-10-9-21-18(24)29-12-15(26)23-25-16(27)19(22-17(25)28)7-2-1-3-8-19/h4-6,9-11H,1-3,7-8,12H2,(H,22,28)(H,23,26)
InChIKeyLWVWKCADFOCWIB-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.39
Rot. Bonds5

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 8002445) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID8002445
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1-c1cccc(F)c1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C19H20FN5O3S/c20-13-5-4-6-14(11-13)24-10-9-21-18(24)29-12-15(26)23-25-16(27)19(22-17(25)28)7-2-1-3-8-19/h4-6,9-11H,1-3,7-8,12H2,(H,22,28)(H,23,26)
InChIKeyLWVWKCADFOCWIB-UHFFFAOYSA-N
XLogP2.39
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2649551
N-(1-adamantylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 30063411
N-(2-ethylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17487470
N-(2-bromo-4-methylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 30063099
2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 25329223
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8010785
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
CID 29484884
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 47093862
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17474976
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8538416
N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 17398131

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide (CID 8002445) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide is O=C(CSc1nccn1-c1cccc(F)c1)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is LWVWKCADFOCWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c20-13-5-4-6-14(11-13)24-10-9-21-18(24)29-12-15(26)23-25-16(27)19(22-17(25)28)7-2-1-3-8-19/h4-6,9-11H,1-3,7-8,12H2,(H,22,28)(H,23,26).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 417.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 8002445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).