N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H23N3O5S — CID 175667222

IUPACN-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)NCCCc1ccccc1
InChIInChI=1S/C18H23N3O5S/c22-15(19-10-4-7-14-5-2-1-3-6-14)13-21-16(23)18(20-17(21)24)8-11-27(25,26)12-9-18/h1-3,5-6H,4,7-13H2,(H,19,22)(H,20,24)
InChIKeyJBENGFFAZWJIQT-UHFFFAOYSA-N
MW393.47 g/mol
LogP0.23
Rot. Bonds6

About N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 175667222) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID175667222
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)NCCCc1ccccc1
InChIInChI=1S/C18H23N3O5S/c22-15(19-10-4-7-14-5-2-1-3-6-14)13-21-16(23)18(20-17(21)24)8-11-27(25,26)12-9-18/h1-3,5-6H,4,7-13H2,(H,19,22)(H,20,24)
InChIKeyJBENGFFAZWJIQT-UHFFFAOYSA-N
XLogP0.23
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-phenylpropyl)acetamide
CID 4810193
N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55452589
2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(3-phenylpropyl)acetamide
CID 7772467
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 175667223
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119548393
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3,3-diphenylpropyl)acetamide
CID 47093726
N-(3-aminopropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119405447
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 34317792
N-(2-methoxyphenyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91892504
N-benzyl-4-[(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide
CID 91892551
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-(2-phenylethyl)acetamide
CID 18074180

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 175667222) is N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is JBENGFFAZWJIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c22-15(19-10-4-7-14-5-2-1-3-6-14)13-21-16(23)18(20-17(21)24)8-11-27(25,26)12-9-18/h1-3,5-6H,4,7-13H2,(H,19,22)(H,20,24).
What are the key properties of N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 393.47 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 175667222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).