2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C23H26N4O5S — CID 17426230

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C23H26N4O5S/c28-20(25-27-21(29)23(24-22(27)30)14-8-3-9-15-23)17-26(16-18-10-4-1-5-11-18)33(31,32)19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,24,30)(H,25,28)
InChIKeyIMJBCQRSQUTBPM-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.16
Rot. Bonds7

About 2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 17426230) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID17426230
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C23H26N4O5S/c28-20(25-27-21(29)23(24-22(27)30)14-8-3-9-15-23)17-26(16-18-10-4-1-5-11-18)33(31,32)19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,24,30)(H,25,28)
InChIKeyIMJBCQRSQUTBPM-UHFFFAOYSA-N
XLogP2.16
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 17426230) is 2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is IMJBCQRSQUTBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c28-20(25-27-21(29)23(24-22(27)30)14-8-3-9-15-23)17-26(16-18-10-4-1-5-11-18)33(31,32)19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,24,30)(H,25,28).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 470.55 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 17426230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).