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

C18H24N4O5S — CID 25163286

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H24N4O5S/c1-12(13-5-7-14(8-6-13)28(19,26)27)20-15(23)11-22-16(24)18(21-17(22)25)9-3-2-4-10-18/h5-8,12H,2-4,9-11H2,1H3,(H,20,23)(H,21,25)(H2,19,26,27)
InChIKeyMAIZFNIZGVSGCZ-UHFFFAOYSA-N
MW408.48 g/mol
LogP0.77
Rot. Bonds5

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

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 25163286) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID25163286
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H24N4O5S/c1-12(13-5-7-14(8-6-13)28(19,26)27)20-15(23)11-22-16(24)18(21-17(22)25)9-3-2-4-10-18/h5-8,12H,2-4,9-11H2,1H3,(H,20,23)(H,21,25)(H2,19,26,27)
InChIKeyMAIZFNIZGVSGCZ-UHFFFAOYSA-N
XLogP0.77
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.77
H-Bond Donors ≤ 53
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 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (CID 25163286) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is CC(NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is MAIZFNIZGVSGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-12(13-5-7-14(8-6-13)28(19,26)27)20-15(23)11-22-16(24)18(21-17(22)25)9-3-2-4-10-18/h5-8,12H,2-4,9-11H2,1H3,(H,20,23)(H,21,25)(H2,19,26,27).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 25163286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).