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

C18H24N4O5S — CID 25392418

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C18H24N4O5S/c19-28(26,27)14-6-4-13(5-7-14)8-11-20-15(23)12-22-16(24)18(21-17(22)25)9-2-1-3-10-18/h4-7H,1-3,8-12H2,(H,20,23)(H,21,25)(H2,19,26,27)
InChIKeyNIHPKECMCOYBPP-UHFFFAOYSA-N
MW408.48 g/mol
LogP0.25
Rot. Bonds6

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

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 25392418) 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-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID25392418
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C18H24N4O5S/c19-28(26,27)14-6-4-13(5-7-14)8-11-20-15(23)12-22-16(24)18(21-17(22)25)9-2-1-3-10-18/h4-7H,1-3,8-12H2,(H,20,23)(H,21,25)(H2,19,26,27)
InChIKeyNIHPKECMCOYBPP-UHFFFAOYSA-N
XLogP0.25
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.25
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-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 25392418) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is NIHPKECMCOYBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c19-28(26,27)14-6-4-13(5-7-14)8-11-20-15(23)12-22-16(24)18(21-17(22)25)9-2-1-3-10-18/h4-7H,1-3,8-12H2,(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-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 0.25, 6 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-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 25392418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).