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

C18H24N4O5S — CID 155568899

IUPAC2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCC1CCCC2(C1)NC(=O)N(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C18H24N4O5S/c1-12-3-2-8-18(9-12)16(24)22(17(25)21-18)11-15(23)20-10-13-4-6-14(7-5-13)28(19,26)27/h4-7,12H,2-3,8-11H2,1H3,(H,20,23)(H,21,25)(H2,19,26,27)
InChIKeyRHOCPQDYVNIVHE-UHFFFAOYSA-N
MW408.48 g/mol
LogP0.45
Rot. Bonds5

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

2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 155568899) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID155568899
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCC1CCCC2(C1)NC(=O)N(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C18H24N4O5S/c1-12-3-2-8-18(9-12)16(24)22(17(25)21-18)11-15(23)20-10-13-4-6-14(7-5-13)28(19,26)27/h4-7,12H,2-3,8-11H2,1H3,(H,20,23)(H,21,25)(H2,19,26,27)
InChIKeyRHOCPQDYVNIVHE-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
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-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-sulfamoylphenyl)methylselanyl]phenyl]acetamide
CID 155520274
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 155535355
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 155549031
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 155555878
3-[(4-Methylsulfanylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622723
N-[2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl]cyclohexanecarboxamide
CID 4834138
3-[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 4968846
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 18268734
3-[2-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 24687793
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25392418
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 127033959
4-[4-Methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide
CID 155513385

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)methyl]acetamide?
The IUPAC name of 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 155568899) is 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is CC1CCCC2(C1)NC(=O)N(CC(=O)NCc1ccc(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)methyl]acetamide?
The InChIKey is RHOCPQDYVNIVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-12-3-2-8-18(9-12)16(24)22(17(25)21-18)11-15(23)20-10-13-4-6-14(7-5-13)28(19,26)27/h4-7,12H,2-3,8-11H2,1H3,(H,20,23)(H,21,25)(H2,19,26,27).
What are the key properties of 2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 0.45, 5 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)methyl]acetamide is sourced from PubChem (CID 155568899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).