2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide

C20H21N3O5S — CID 18090580

IUPAC2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1=O
InChIInChI=1S/C20H21N3O5S/c1-3-20(14-8-5-4-6-9-14)18(25)23(19(26)22-20)13-17(24)21-15-10-7-11-16(12-15)29(2,27)28/h4-12H,3,13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyVSDKLVMPRPCXIZ-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.89
Rot. Bonds6

About 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide

2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 18090580) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide
PubChem CID18090580
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1=O
InChIInChI=1S/C20H21N3O5S/c1-3-20(14-8-5-4-6-9-14)18(25)23(19(26)22-20)13-17(24)21-15-10-7-11-16(12-15)29(2,27)28/h4-12H,3,13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyVSDKLVMPRPCXIZ-UHFFFAOYSA-N
XLogP1.89
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
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

2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 7179355
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 7242663
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7179860
N-[3-(dimethylsulfamoyl)phenyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide
CID 24658435
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 55411899
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 18090559
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7242671
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-pyridin-3-ylacetamide
CID 31541792
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3263041
N-(3-acetylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703685

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide (CID 18090580) is 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide is CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1=O.
What is the InChIKey of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is VSDKLVMPRPCXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-3-20(14-8-5-4-6-9-14)18(25)23(19(26)22-20)13-17(24)21-15-10-7-11-16(12-15)29(2,27)28/h4-12H,3,13H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide?
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 415.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 18090580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).