2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide

C20H21N3O3S — CID 7179860

IUPAC2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(SC)c2)C1=O
InChIInChI=1S/C20H21N3O3S/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)27-2/h4-12H,3,13H2,1-2H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeyFNWQTBYYNQXXEO-FQEVSTJZSA-N
MW383.47 g/mol
LogP3.20
Rot. Bonds6

About 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide

2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 7179860) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID7179860
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(SC)c2)C1=O
InChIInChI=1S/C20H21N3O3S/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)27-2/h4-12H,3,13H2,1-2H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeyFNWQTBYYNQXXEO-FQEVSTJZSA-N
XLogP3.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 2701920
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 7242663
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 18090580
N-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
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-(3-fluoro-4-methylphenyl)acetamide
CID 7242671
2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 24566026
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-pyridin-3-ylacetamide
CID 31541792
N-(3-acetylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703685
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-propylphenyl)acetamide
CID 24565803
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide (CID 7179860) is 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide is CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(SC)c2)C1=O.
What is the InChIKey of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is FNWQTBYYNQXXEO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N3O3S/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)27-2/h4-12H,3,13H2,1-2H3,(H,21,24)(H,22,26)/t20-/m0/s1.
What are the key properties of 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 7179860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).