N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C23H28N4O5S — CID 55894643

IUPACN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)NC(C)c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C23H28N4O5S/c1-15-6-10-18(11-7-15)23(3)21(29)27(22(30)25-23)14-20(28)24-16(2)17-8-12-19(13-9-17)33(31,32)26(4)5/h6-13,16H,14H2,1-5H3,(H,24,28)(H,25,30)
InChIKeyJWHQSVFACRTLTO-UHFFFAOYSA-N
MW472.57 g/mol
LogP1.89
Rot. Bonds7

About N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55894643) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID55894643
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)NC(C)c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C23H28N4O5S/c1-15-6-10-18(11-7-15)23(3)21(29)27(22(30)25-23)14-20(28)24-16(2)17-8-12-19(13-9-17)33(31,32)26(4)5/h6-13,16H,14H2,1-5H3,(H,24,28)(H,25,30)
InChIKeyJWHQSVFACRTLTO-UHFFFAOYSA-N
XLogP1.89
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 51.89
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

N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41101263
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7179083
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7595825
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 2581518
(2R)-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119370203
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55894513
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7596132
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054177
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7711066
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 92786542
methyl 3-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-(4-methylphenyl)propanoate
CID 55454996
2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55327757

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55894643) is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(C2(C)NC(=O)N(CC(=O)NC(C)c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1.
What is the InChIKey of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is JWHQSVFACRTLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-15-6-10-18(11-7-15)23(3)21(29)27(22(30)25-23)14-20(28)24-16(2)17-8-12-19(13-9-17)33(31,32)26(4)5/h6-13,16H,14H2,1-5H3,(H,24,28)(H,25,30).
What are the key properties of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 472.57 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55894643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).