3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide

C17H21N3O5S — CID 9118697

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C17H21N3O5S/c1-26(24,25)13-6-4-12(5-7-13)18-14(21)8-11-20-15(22)17(19-16(20)23)9-2-3-10-17/h4-7H,2-3,8-11H2,1H3,(H,18,21)(H,19,23)
InChIKeyKFRGZTDHEYTRRD-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.28
Rot. Bonds5

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide (PubChem CID 9118697) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide
PubChem CID9118697
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C17H21N3O5S/c1-26(24,25)13-6-4-12(5-7-13)18-14(21)8-11-20-15(22)17(19-16(20)23)9-2-3-10-17/h4-7H,2-3,8-11H2,1H3,(H,18,21)(H,19,23)
InChIKeyKFRGZTDHEYTRRD-UHFFFAOYSA-N
XLogP1.28
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide (CID 9118697) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide is CS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide?
The InChIKey is KFRGZTDHEYTRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-26(24,25)13-6-4-12(5-7-13)18-14(21)8-11-20-15(22)17(19-16(20)23)9-2-3-10-17/h4-7H,2-3,8-11H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide has a molecular weight of 379.44 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 9118697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).