[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate

C20H26N4O7S — CID 55326752

IUPAC[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)C(C)NS(=O)(=O)c1ccccc1)C2=O
InChIInChI=1S/C20H26N4O7S/c1-13-8-10-20(11-9-13)18(27)24(19(28)21-20)22-16(25)12-31-17(26)14(2)23-32(29,30)15-6-4-3-5-7-15/h3-7,13-14,23H,8-12H2,1-2H3,(H,21,28)(H,22,25)
InChIKeyPJWHGSLRMZUFPE-UHFFFAOYSA-N
MW466.52 g/mol
LogP0.43
Rot. Bonds7

About [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate (PubChem CID 55326752) has the molecular formula C20H26N4O7S and a molecular weight of 466.52 g/mol. Its IUPAC name is [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate
PubChem CID55326752
Molecular FormulaC20H26N4O7S
Molecular Weight466.52 g/mol
Exact Mass466.15
IUPAC Name[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)C(C)NS(=O)(=O)c1ccccc1)C2=O
InChIInChI=1S/C20H26N4O7S/c1-13-8-10-20(11-9-13)18(27)24(19(28)21-20)22-16(25)12-31-17(26)14(2)23-32(29,30)15-6-4-3-5-7-15/h3-7,13-14,23H,8-12H2,1-2H3,(H,21,28)(H,22,25)
InChIKeyPJWHGSLRMZUFPE-UHFFFAOYSA-N
XLogP0.43
TPSA150.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928321
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658691
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 16520781
[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 40943304
[2-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 4841336
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8759918
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840553
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 16523121
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488860
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7382167
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 26652596
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132494

Frequently Asked Questions

What is the IUPAC name of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate?
The IUPAC name of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate (CID 55326752) is [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate.
What is the SMILES notation for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate?
The canonical SMILES for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate is CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)C(C)NS(=O)(=O)c1ccccc1)C2=O.
What is the InChIKey of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate?
The InChIKey is PJWHGSLRMZUFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O7S/c1-13-8-10-20(11-9-13)18(27)24(19(28)21-20)22-16(25)12-31-17(26)14(2)23-32(29,30)15-6-4-3-5-7-15/h3-7,13-14,23H,8-12H2,1-2H3,(H,21,28)(H,22,25).
What are the key properties of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate?
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate has a molecular weight of 466.52 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate is sourced from PubChem (CID 55326752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).