2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide

C23H25N3O3S — CID 2423109

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C23H25N3O3S/c27-20(16-26-21(28)23(25-22(26)29)14-8-1-2-9-15-23)24-18-12-6-7-13-19(18)30-17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2,(H,24,27)(H,25,29)
InChIKeyZZUOERDVYIHZSM-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.42
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 2423109) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID2423109
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C23H25N3O3S/c27-20(16-26-21(28)23(25-22(26)29)14-8-1-2-9-15-23)24-18-12-6-7-13-19(18)30-17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2,(H,24,27)(H,25,29)
InChIKeyZZUOERDVYIHZSM-UHFFFAOYSA-N
XLogP4.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 138753317
3-(4-Methylsulfanyl-phenyl)-1,3-diaza-spiro[4.5]decane-2,4-dione
CID 655058
1-(3-Phenyl-ureido)-cyclohexanecarboxylic acid (thiophen-2-ylmethyl)-amide
CID 3222702
2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 5217376
(2S)-N-(2-aminoethyl)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]-3-phenylpropanamide
CID 11113330
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 2504108
2-{6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[2-(phenylsulfanyl)phenyl]acetamide
CID 4533258
2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 4309679
2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-phenylacetamide
CID 4373340
N-[2-(cyanomethylsulfanyl)phenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 4882911
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 16296508
3-[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2560942

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide (CID 2423109) is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is ZZUOERDVYIHZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-20(16-26-21(28)23(25-22(26)29)14-8-1-2-9-15-23)24-18-12-6-7-13-19(18)30-17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2,(H,24,27)(H,25,29).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 423.54 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 2423109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).