(5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione

C21H23N3O3S — CID 8891183

IUPAC(5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2cccs2)C1=O
InChIInChI=1S/C21H23N3O3S/c1-2-21(15-8-4-3-5-9-15)19(26)24(20(27)22-21)14-18(25)23-12-6-10-16(23)17-11-7-13-28-17/h3-5,7-9,11,13,16H,2,6,10,12,14H2,1H3,(H,22,27)/t16-,21+/m1/s1
InChIKeyPOSFDKMVYZXAGI-IERDGZPVSA-N
MW397.50 g/mol
LogP3.27
Rot. Bonds5

About (5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione

(5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 8891183) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is (5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione
PubChem CID8891183
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name(5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2cccs2)C1=O
InChIInChI=1S/C21H23N3O3S/c1-2-21(15-8-4-3-5-9-15)19(26)24(20(27)22-21)14-18(25)23-12-6-10-16(23)17-11-7-13-28-17/h3-5,7-9,11,13,16H,2,6,10,12,14H2,1H3,(H,22,27)/t16-,21+/m1/s1
InChIKeyPOSFDKMVYZXAGI-IERDGZPVSA-N
XLogP3.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-5-methyl-3-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 43027801
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40748676
(5S)-5-(3-chlorophenyl)-5-ethyl-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]imidazolidine-2,4-dione
CID 11925365
(5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 124734823
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 3963316
(5S)-3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 51434252
(5S)-5-ethyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181317
N,N-dicyclohexyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42982708
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
1-cyclopropyl-3-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 87022684
N-cyclohexyl-N-ethyl-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242783

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione (CID 8891183) is (5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione is CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2cccs2)C1=O.
What is the InChIKey of (5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is POSFDKMVYZXAGI-IERDGZPVSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-2-21(15-8-4-3-5-9-15)19(26)24(20(27)22-21)14-18(25)23-12-6-10-16(23)17-11-7-13-28-17/h3-5,7-9,11,13,16H,2,6,10,12,14H2,1H3,(H,22,27)/t16-,21+/m1/s1.
What are the key properties of (5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione?
(5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 397.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 8891183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).