2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C20H22N4O5S — CID 18228726

IUPAC2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C20H22N4O5S/c1-23(2)30(28,29)16-10-6-9-15(12-16)21-18(25)13-24-19(26)17(22-20(24)27)11-14-7-4-3-5-8-14/h3-10,12,17H,11,13H2,1-2H3,(H,21,25)(H,22,27)
InChIKeyYHNAHYDHRLLDLH-UHFFFAOYSA-N
MW430.49 g/mol
LogP1.04
Rot. Bonds7

About 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 18228726) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID18228726
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C20H22N4O5S/c1-23(2)30(28,29)16-10-6-9-15(12-16)21-18(25)13-24-19(26)17(22-20(24)27)11-14-7-4-3-5-8-14/h3-10,12,17H,11,13H2,1-2H3,(H,21,25)(H,22,27)
InChIKeyYHNAHYDHRLLDLH-UHFFFAOYSA-N
XLogP1.04
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 51.04
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-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 18228726) is 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)c1.
What is the InChIKey of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is YHNAHYDHRLLDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-23(2)30(28,29)16-10-6-9-15(12-16)21-18(25)13-24-19(26)17(22-20(24)27)11-14-7-4-3-5-8-14/h3-10,12,17H,11,13H2,1-2H3,(H,21,25)(H,22,27).
What are the key properties of 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 430.49 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 18228726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).