2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide

C18H16N4O6S — CID 4868813

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C18H16N4O6S/c19-29(27,28)14-8-4-7-13(9-14)20-15(23)11-22-17(25)16(24)21(18(22)26)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,23)(H2,19,27,28)
InChIKeyXISRCIGUVBFDTL-UHFFFAOYSA-N
MW416.42 g/mol
LogP0.26
Rot. Bonds6

About 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide (PubChem CID 4868813) has the molecular formula C18H16N4O6S and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide
PubChem CID4868813
Molecular FormulaC18H16N4O6S
Molecular Weight416.42 g/mol
Exact Mass416.08
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C18H16N4O6S/c19-29(27,28)14-8-4-7-13(9-14)20-15(23)11-22-17(25)16(24)21(18(22)26)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,23)(H2,19,27,28)
InChIKeyXISRCIGUVBFDTL-UHFFFAOYSA-N
XLogP0.26
TPSA146.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 138393379
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 138753317
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2388085
Carbonic anhydrase inhibitor 3
CID 38150302
3-(3-Methyl-3-phenethylureido)benzenesulfonamide
CID 157049317
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-sulfamoylphenyl)methylselanyl]phenyl]acetamide
CID 155520274
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-sulfamoylphenyl)methylselanyl]phenyl]acetamide
CID 155534179
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 155535355
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3430764
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide
CID 4606555

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide (CID 4868813) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide is NS(=O)(=O)c1cccc(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is XISRCIGUVBFDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O6S/c19-29(27,28)14-8-4-7-13(9-14)20-15(23)11-22-17(25)16(24)21(18(22)26)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,23)(H2,19,27,28).
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 416.42 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4868813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).