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

C16H19N3O5S — CID 18090559

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C16H19N3O5S/c1-25(23,24)12-6-4-5-11(9-12)17-13(20)10-19-14(21)16(18-15(19)22)7-2-3-8-16/h4-6,9H,2-3,7-8,10H2,1H3,(H,17,20)(H,18,22)
InChIKeyUQNNMQMPSSTMGP-UHFFFAOYSA-N
MW365.41 g/mol
LogP0.89
Rot. Bonds4

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

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 18090559) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide
PubChem CID18090559
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C16H19N3O5S/c1-25(23,24)12-6-4-5-11(9-12)17-13(20)10-19-14(21)16(18-15(19)22)7-2-3-8-16/h4-6,9H,2-3,7-8,10H2,1H3,(H,17,20)(H,18,22)
InChIKeyUQNNMQMPSSTMGP-UHFFFAOYSA-N
XLogP0.89
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.89
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-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4843996
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-sulfamoylphenyl)acetamide
CID 7170161
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 47093750
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 55304420
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 18090580
N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3899374
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2701790
N-(3,4-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622570
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide (CID 18090559) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is UQNNMQMPSSTMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-25(23,24)12-6-4-5-11(9-12)17-13(20)10-19-14(21)16(18-15(19)22)7-2-3-8-16/h4-6,9H,2-3,7-8,10H2,1H3,(H,17,20)(H,18,22).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 365.41 g/mol, XLogP of 0.89, 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-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 18090559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).