2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

C20H26N4O6S — CID 16544867

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H26N4O6S/c1-14-4-5-15(12-16(14)31(28,29)23-8-10-30-11-9-23)21-17(25)13-24-18(26)20(22-19(24)27)6-2-3-7-20/h4-5,12H,2-3,6-11,13H2,1H3,(H,21,25)(H,22,27)
InChIKeyQAYHDWGQROJZGB-UHFFFAOYSA-N
MW450.52 g/mol
LogP0.82
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 16544867) has the molecular formula C20H26N4O6S and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID16544867
Molecular FormulaC20H26N4O6S
Molecular Weight450.52 g/mol
Exact Mass450.16
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H26N4O6S/c1-14-4-5-15(12-16(14)31(28,29)23-8-10-30-11-9-23)21-17(25)13-24-18(26)20(22-19(24)27)6-2-3-7-20/h4-5,12H,2-3,6-11,13H2,1H3,(H,21,25)(H,22,27)
InChIKeyQAYHDWGQROJZGB-UHFFFAOYSA-N
XLogP0.82
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 16544865
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2441581
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 25300679
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 55308756
N-(3,4-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622570
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 4070556
N-(3-bromo-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7610542
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2583508
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4034173
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 30965722
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 16544867) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is QAYHDWGQROJZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6S/c1-14-4-5-15(12-16(14)31(28,29)23-8-10-30-11-9-23)21-17(25)13-24-18(26)20(22-19(24)27)6-2-3-7-20/h4-5,12H,2-3,6-11,13H2,1H3,(H,21,25)(H,22,27).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 450.52 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16544867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).