(5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione

C17H18N2O4S — CID 94184499

IUPAC(5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCOc1ccccc1OCCN1C(=O)N[C@@](C)(c2cccs2)C1=O
InChIInChI=1S/C17H18N2O4S/c1-17(14-8-5-11-24-14)15(20)19(16(21)18-17)9-10-23-13-7-4-3-6-12(13)22-2/h3-8,11H,9-10H2,1-2H3,(H,18,21)/t17-/m0/s1
InChIKeyWIIFZASHEDLGFH-KRWDZBQOSA-N
MW346.41 g/mol
LogP2.60
Rot. Bonds6

About (5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione

(5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 94184499) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is (5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID94184499
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name(5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCOc1ccccc1OCCN1C(=O)N[C@@](C)(c2cccs2)C1=O
InChIInChI=1S/C17H18N2O4S/c1-17(14-8-5-11-24-14)15(20)19(16(21)18-17)9-10-23-13-7-4-3-6-12(13)22-2/h3-8,11H,9-10H2,1-2H3,(H,18,21)/t17-/m0/s1
InChIKeyWIIFZASHEDLGFH-KRWDZBQOSA-N
XLogP2.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(furan-2-yl)-3-[2-(2-methoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 94498941
(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92591093
(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 95142893
(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51592541
(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92579088
N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288553
N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514634
N-(4-fluorophenyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 51128509
N-(4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514635
(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92582836
2-[2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)ethoxy]benzonitrile
CID 51106599
N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 71900241

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (CID 94184499) is (5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is COc1ccccc1OCCN1C(=O)N[C@@](C)(c2cccs2)C1=O.
What is the InChIKey of (5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is WIIFZASHEDLGFH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-17(14-8-5-11-24-14)15(20)19(16(21)18-17)9-10-23-13-7-4-3-6-12(13)22-2/h3-8,11H,9-10H2,1-2H3,(H,18,21)/t17-/m0/s1.
What are the key properties of (5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
(5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 346.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 94184499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).