2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide

C17H22N4O5S — CID 155535355

IUPAC2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C17H22N4O5S/c1-11-3-2-8-17(9-11)15(23)21(16(24)20-17)10-14(22)19-12-4-6-13(7-5-12)27(18,25)26/h4-7,11H,2-3,8-10H2,1H3,(H,19,22)(H,20,24)(H2,18,25,26)
InChIKeyQUTUODGLIAAMJE-UHFFFAOYSA-N
MW394.45 g/mol
LogP0.77
Rot. Bonds4

About 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide

2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 155535355) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID155535355
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC Name2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C17H22N4O5S/c1-11-3-2-8-17(9-11)15(23)21(16(24)20-17)10-14(22)19-12-4-6-13(7-5-12)27(18,25)26/h4-7,11H,2-3,8-10H2,1H3,(H,19,22)(H,20,24)(H2,18,25,26)
InChIKeyQUTUODGLIAAMJE-UHFFFAOYSA-N
XLogP0.77
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
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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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 138393379
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 138753317
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2388085
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-sulfamoylphenyl)methylselanyl]phenyl]acetamide
CID 155520274
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-sulfamoylphenyl)methylselanyl]phenyl]acetamide
CID 155534179
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3430764
N-(4-{[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonyl}phenyl)acetamide
CID 1151669
4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 5295050
(S)-N-(1-((4-(N-(tert-butyl)sulfamoyl)phenyl)amino)-3-cyclohexyl-1-oxopropan-2-yl)cyclohexanecarboxamide
CID 146503510
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2077907
N-(4-{[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl}phenyl)acetamide
CID 2978668
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclohexanecarboxamide
CID 3484520

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide (CID 155535355) is 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide is CC1CCCC2(C1)NC(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C2=O.
What is the InChIKey of 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is QUTUODGLIAAMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-11-3-2-8-17(9-11)15(23)21(16(24)20-17)10-14(22)19-12-4-6-13(7-5-12)27(18,25)26/h4-7,11H,2-3,8-10H2,1H3,(H,19,22)(H,20,24)(H2,18,25,26).
What are the key properties of 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 394.45 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 155535355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).