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

C20H21N3O5S — CID 55411899

IUPAC2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2S(C)(=O)=O)C1=O
InChIInChI=1S/C20H21N3O5S/c1-3-20(14-9-5-4-6-10-14)18(25)23(19(26)22-20)13-17(24)21-15-11-7-8-12-16(15)29(2,27)28/h4-12H,3,13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyVGJDXXGLIDCCSQ-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.89
Rot. Bonds6

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

2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 55411899) 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-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide
PubChem CID55411899
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2S(C)(=O)=O)C1=O
InChIInChI=1S/C20H21N3O5S/c1-3-20(14-9-5-4-6-10-14)18(25)23(19(26)22-20)13-17(24)21-15-11-7-8-12-16(15)29(2,27)28/h4-12H,3,13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyVGJDXXGLIDCCSQ-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-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 18090580
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2582755
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-piperidin-1-ylphenyl)acetamide
CID 26871371
N-cyclopropyl-2-[[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]benzamide
CID 26524720
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-propylphenyl)acetamide
CID 24565803
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 16545970
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 7179355
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2582592
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide (CID 55411899) is 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide is CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2S(C)(=O)=O)C1=O.
What is the InChIKey of 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is VGJDXXGLIDCCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-3-20(14-9-5-4-6-10-14)18(25)23(19(26)22-20)13-17(24)21-15-11-7-8-12-16(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-(2-methylsulfonylphenyl)acetamide?
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-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-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 55411899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).