2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide

C20H19N3O3S — CID 55310160

IUPAC2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCSC2)C1=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3S/c24-17(12-23-18(25)20(22-19(23)26)10-11-27-13-20)21-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,24)(H,22,26)
InChIKeyBIJUZZVMSUFHGQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.72
Rot. Bonds4

About 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide

2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide (PubChem CID 55310160) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide
PubChem CID55310160
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCSC2)C1=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19N3O3S/c24-17(12-23-18(25)20(22-19(23)26)10-11-27-13-20)21-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,24)(H,22,26)
InChIKeyBIJUZZVMSUFHGQ-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4878898
N-benzyl-2-[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]acetamide
CID 2460368
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 55310113
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(4-fluorophenyl)acetamide
CID 3662145
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenylphenyl)acetamide
CID 25388429
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 42979279
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 84601269
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide (CID 55310160) is 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide is O=C(CN1C(=O)NC2(CCSC2)C1=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide?
The InChIKey is BIJUZZVMSUFHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-17(12-23-18(25)20(22-19(23)26)10-11-27-13-20)21-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,24)(H,22,26).
What are the key properties of 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide?
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 55310160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).