2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide

C17H21N3O3S — CID 2705398

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1
InChIInChI=1S/C17H21N3O3S/c1-24-13-7-5-6-12(10-13)18-14(21)11-20-15(22)17(19-16(20)23)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,21)(H,19,23)
InChIKeyXJMLNSRQXIQZLC-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.60
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 2705398) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID2705398
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1
InChIInChI=1S/C17H21N3O3S/c1-24-13-7-5-6-12(10-13)18-14(21)11-20-15(22)17(19-16(20)23)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,21)(H,19,23)
InChIKeyXJMLNSRQXIQZLC-UHFFFAOYSA-N
XLogP2.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide (CID 2705398) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is XJMLNSRQXIQZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-24-13-7-5-6-12(10-13)18-14(21)11-20-15(22)17(19-16(20)23)8-3-2-4-9-17/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.60, 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-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2705398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).