4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide

C14H18N4O5S — CID 55520259

IUPAC4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NN2CC(=O)NC2=O)cc1
InChIInChI=1S/C14H18N4O5S/c1-3-9(2)17-24(22,23)11-6-4-10(5-7-11)13(20)16-18-8-12(19)15-14(18)21/h4-7,9,17H,3,8H2,1-2H3,(H,16,20)(H,15,19,21)
InChIKeyQPUAYQKNECPRJR-UHFFFAOYSA-N
MW354.39 g/mol
LogP-0.04
Rot. Bonds6

About 4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide

4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide (PubChem CID 55520259) has the molecular formula C14H18N4O5S and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide
PubChem CID55520259
Molecular FormulaC14H18N4O5S
Molecular Weight354.39 g/mol
Exact Mass354.10
IUPAC Name4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NN2CC(=O)NC2=O)cc1
InChIInChI=1S/C14H18N4O5S/c1-3-9(2)17-24(22,23)11-6-4-10(5-7-11)13(20)16-18-8-12(19)15-14(18)21/h4-7,9,17H,3,8H2,1-2H3,(H,16,20)(H,15,19,21)
InChIKeyQPUAYQKNECPRJR-UHFFFAOYSA-N
XLogP-0.04
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 55350363
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119224939
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide
CID 39032121
4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
CID 51164261
4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428182

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide (CID 55520259) is 4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NN2CC(=O)NC2=O)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide?
The InChIKey is QPUAYQKNECPRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5S/c1-3-9(2)17-24(22,23)11-6-4-10(5-7-11)13(20)16-18-8-12(19)15-14(18)21/h4-7,9,17H,3,8H2,1-2H3,(H,16,20)(H,15,19,21).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide?
4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide has a molecular weight of 354.39 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-(2,4-dioxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 55520259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).