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

C17H22N4O5S — CID 155516517

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C17H22N4O5S/c18-27(25,26)13-6-4-12(5-7-13)10-19-14(22)11-21-15(23)17(20-16(21)24)8-2-1-3-9-17/h4-7H,1-3,8-11H2,(H,19,22)(H,20,24)(H2,18,25,26)
InChIKeyWVTVLUWYWYNJRU-UHFFFAOYSA-N
MW394.45 g/mol
LogP0.20
Rot. Bonds5

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

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 155516517) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID155516517
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C17H22N4O5S/c18-27(25,26)13-6-4-12(5-7-13)10-19-14(22)11-21-15(23)17(20-16(21)24)8-2-1-3-9-17/h4-7H,1-3,8-11H2,(H,19,22)(H,20,24)(H2,18,25,26)
InChIKeyWVTVLUWYWYNJRU-UHFFFAOYSA-N
XLogP0.20
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 50.20
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-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 155516517) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=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-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is WVTVLUWYWYNJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c18-27(25,26)13-6-4-12(5-7-13)10-19-14(22)11-21-15(23)17(20-16(21)24)8-2-1-3-9-17/h4-7H,1-3,8-11H2,(H,19,22)(H,20,24)(H2,18,25,26).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 0.20, 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-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 155516517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).