(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

C20H22N2O4S — CID 8506396

IUPAC(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc(C)s3)C2=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-13-4-9-17(27-13)16(23)12-22-18(24)20(2,21-19(22)25)11-10-14-5-7-15(26-3)8-6-14/h4-9H,10-12H2,1-3H3,(H,21,25)/t20-/m1/s1
InChIKeyAVJGJCIRSXBFMV-HXUWFJFHSA-N
MW386.47 g/mol
LogP3.19
Rot. Bonds7

About (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 8506396) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID8506396
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc(C)s3)C2=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-13-4-9-17(27-13)16(23)12-22-18(24)20(2,21-19(22)25)11-10-14-5-7-15(26-3)8-6-14/h4-9H,10-12H2,1-3H3,(H,21,25)/t20-/m1/s1
InChIKeyAVJGJCIRSXBFMV-HXUWFJFHSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.19
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

5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 17428620
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 8507246
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8507248
(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8677038
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 8507218
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112
N-(ethylcarbamoyl)-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8506964
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 8506856
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 8506914
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8506922
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
CID 8567603
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 42915922

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 8506396) is (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione is COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)c3ccc(C)s3)C2=O)cc1.
What is the InChIKey of (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is AVJGJCIRSXBFMV-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-4-9-17(27-13)16(23)12-22-18(24)20(2,21-19(22)25)11-10-14-5-7-15(26-3)8-6-14/h4-9H,10-12H2,1-3H3,(H,21,25)/t20-/m1/s1.
What are the key properties of (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione?
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 386.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 8506396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).