3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide

C24H28N4O5S — CID 27802869

IUPAC3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1
InChIInChI=1S/C24H28N4O5S/c1-3-27(19-9-5-4-6-10-19)34(32,33)20-11-7-8-18(16-20)21(29)26-28-22(30)24(25-23(28)31)14-12-17(2)13-15-24/h4-11,16-17H,3,12-15H2,1-2H3,(H,25,31)(H,26,29)
InChIKeyBEECNMDLAHEVLD-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.05
Rot. Bonds6

About 3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide

3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide (PubChem CID 27802869) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide
PubChem CID27802869
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1
InChIInChI=1S/C24H28N4O5S/c1-3-27(19-9-5-4-6-10-19)34(32,33)20-11-7-8-18(16-20)21(29)26-28-22(30)24(25-23(28)31)14-12-17(2)13-15-24/h4-11,16-17H,3,12-15H2,1-2H3,(H,25,31)(H,26,29)
InChIKeyBEECNMDLAHEVLD-UHFFFAOYSA-N
XLogP3.05
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119425491
N-ethyl-3-[[(4-methylbenzoyl)amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2421051
methyl 1-[[3-[ethyl(phenyl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
CID 55572752
N-ethyl-3-(3-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 119577414
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 16530659
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 55532858
N-ethyl-3-(3-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide;hydrochloride
CID 119577413
N-ethyl-3-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55530086
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 16521313
[2-(cyclopropylamino)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2579762
N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3899374

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide (CID 27802869) is 3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide?
The InChIKey is BEECNMDLAHEVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-3-27(19-9-5-4-6-10-19)34(32,33)20-11-7-8-18(16-20)21(29)26-28-22(30)24(25-23(28)31)14-12-17(2)13-15-24/h4-11,16-17H,3,12-15H2,1-2H3,(H,25,31)(H,26,29).
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide?
3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide has a molecular weight of 484.58 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide is sourced from PubChem (CID 27802869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).