3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

C19H20N2O4S — CID 75865261

IUPAC3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(CCc2ccccc2)C(=O)N1CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20N2O4S/c22-18-17(12-11-15-7-3-1-4-8-15)20-19(23)21(18)13-14-26(24,25)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,20,23)
InChIKeyRQPVITKDQKWSKT-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.01
Rot. Bonds7

About 3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione

3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 75865261) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID75865261
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1NC(CCc2ccccc2)C(=O)N1CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20N2O4S/c22-18-17(12-11-15-7-3-1-4-8-15)20-19(23)21(18)13-14-26(24,25)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,20,23)
InChIKeyRQPVITKDQKWSKT-UHFFFAOYSA-N
XLogP2.01
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.01
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

(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 95582364
(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 52544059
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
CID 47117412
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-hydroxypropanamide
CID 87094358
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7917027
(5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 139711446
4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile
CID 2598097
(5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2704050
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023
(5S)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 94811615
(5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 25362720

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 75865261) is 3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is O=C1NC(CCc2ccccc2)C(=O)N1CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is RQPVITKDQKWSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c22-18-17(12-11-15-7-3-1-4-8-15)20-19(23)21(18)13-14-26(24,25)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,20,23).
What are the key properties of 3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione?
3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 372.45 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 75865261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).