N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

C22H31N5O6S — CID 55456770

IUPACN-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)C2=O
InChIInChI=1S/C22H31N5O6S/c1-4-16-9-11-22(12-10-16)20(30)27(21(31)23-22)14-19(29)25-24-18(28)13-26(3)34(32,33)17-7-5-15(2)6-8-17/h5-8,16H,4,9-14H2,1-3H3,(H,23,31)(H,24,28)(H,25,29)
InChIKeyXMUZXXCWGSSJSU-UHFFFAOYSA-N
MW493.59 g/mol
LogP0.65
Rot. Bonds7

About N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 55456770) has the molecular formula C22H31N5O6S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
PubChem CID55456770
Molecular FormulaC22H31N5O6S
Molecular Weight493.59 g/mol
Exact Mass493.20
IUPAC NameN-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)C2=O
InChIInChI=1S/C22H31N5O6S/c1-4-16-9-11-22(12-10-16)20(30)27(21(31)23-22)14-19(29)25-24-18(28)13-26(3)34(32,33)17-7-5-15(2)6-8-17/h5-8,16H,4,9-14H2,1-3H3,(H,23,31)(H,24,28)(H,25,29)
InChIKeyXMUZXXCWGSSJSU-UHFFFAOYSA-N
XLogP0.65
TPSA144.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide 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-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55468067
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054178
N-butyl-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
CID 51215310
2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 55612985
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 40748938
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 55460877
N-(2-amino-2-methylpropyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119627267
N,N-diethyl-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180872
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2425457
N-[2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]ethyl]-4-hydroxybenzamide
CID 55869488
N-(2,6-dimethylphenyl)-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 55304263

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (CID 55456770) is N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)C2=O.
What is the InChIKey of N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is XMUZXXCWGSSJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O6S/c1-4-16-9-11-22(12-10-16)20(30)27(21(31)23-22)14-19(29)25-24-18(28)13-26(3)34(32,33)17-7-5-15(2)6-8-17/h5-8,16H,4,9-14H2,1-3H3,(H,23,31)(H,24,28)(H,25,29).
What are the key properties of N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 493.59 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 55456770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).