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

C15H17N3O3S2 — CID 55310113

IUPAC2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2C(=O)NC3(CCSC3)C2=O)c1
InChIInChI=1S/C15H17N3O3S2/c1-22-11-4-2-3-10(7-11)16-12(19)8-18-13(20)15(17-14(18)21)5-6-23-9-15/h2-4,7H,5-6,8-9H2,1H3,(H,16,19)(H,17,21)
InChIKeyUDMWTNGVHSLYJU-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.77
Rot. Bonds4

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

2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 55310113) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID55310113
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2C(=O)NC3(CCSC3)C2=O)c1
InChIInChI=1S/C15H17N3O3S2/c1-22-11-4-2-3-10(7-11)16-12(19)8-18-13(20)15(17-14(18)21)5-6-23-9-15/h2-4,7H,5-6,8-9H2,1H3,(H,16,19)(H,17,21)
InChIKeyUDMWTNGVHSLYJU-UHFFFAOYSA-N
XLogP1.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41089149
2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 2701920
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-phenylphenyl)acetamide
CID 55310160
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7179860
2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7595882
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2640778
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-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 18090559
N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4804356

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide (CID 55310113) is 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN2C(=O)NC3(CCSC3)C2=O)c1.
What is the InChIKey of 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is UDMWTNGVHSLYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-22-11-4-2-3-10(7-11)16-12(19)8-18-13(20)15(17-14(18)21)5-6-23-9-15/h2-4,7H,5-6,8-9H2,1H3,(H,16,19)(H,17,21).
What are the key properties of 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 55310113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).