3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide

C23H28N4O5S — CID 55436066

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H28N4O5S/c1-4-26(5-2)33(31,32)19-14-11-17(12-15-19)13-16-20(28)25-27-21(29)23(3,24-22(27)30)18-9-7-6-8-10-18/h6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,30)(H,25,28)
InChIKeyICOOAQPOBQLWGC-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.15
Rot. Bonds9

About 3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide (PubChem CID 55436066) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
PubChem CID55436066
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H28N4O5S/c1-4-26(5-2)33(31,32)19-14-11-17(12-15-19)13-16-20(28)25-27-21(29)23(3,24-22(27)30)18-9-7-6-8-10-18/h6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,30)(H,25,28)
InChIKeyICOOAQPOBQLWGC-UHFFFAOYSA-N
XLogP2.15
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-phenylpropanamide
CID 9293628
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8694883
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009516
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 8599891
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide (CID 55436066) is 3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide?
The InChIKey is ICOOAQPOBQLWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-4-26(5-2)33(31,32)19-14-11-17(12-15-19)13-16-20(28)25-27-21(29)23(3,24-22(27)30)18-9-7-6-8-10-18/h6-12,14-15H,4-5,13,16H2,1-3H3,(H,24,30)(H,25,28).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide has a molecular weight of 472.57 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide is sourced from PubChem (CID 55436066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).