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

C20H22N2O4S — CID 7630821

IUPAC(5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2cc(C)sc2C)C1=O
InChIInChI=1S/C20H22N2O4S/c1-5-20(14-6-8-15(26-4)9-7-14)18(24)22(19(25)21-20)11-17(23)16-10-12(2)27-13(16)3/h6-10H,5,11H2,1-4H3,(H,21,25)/t20-/m1/s1
InChIKeyGGCJJXNHKRFPRU-HXUWFJFHSA-N
MW386.47 g/mol
LogP3.41
Rot. Bonds6

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

(5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 7630821) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is (5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID7630821
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name(5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2cc(C)sc2C)C1=O
InChIInChI=1S/C20H22N2O4S/c1-5-20(14-6-8-15(26-4)9-7-14)18(24)22(19(25)21-20)11-17(23)16-10-12(2)27-13(16)3/h6-10H,5,11H2,1-4H3,(H,21,25)/t20-/m1/s1
InChIKeyGGCJJXNHKRFPRU-HXUWFJFHSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.41
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

3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 43031032
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
(5R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595570
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342
(5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7489664
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
CID 8565898
2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17449465
N-(4-acetamidophenyl)-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17390593
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 7595546
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 7802367
(5S)-5-(4-chlorophenyl)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-5-ethylimidazolidine-2,4-dione
CID 30285921
2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide
CID 7595556

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (CID 7630821) is (5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2cc(C)sc2C)C1=O.
What is the InChIKey of (5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is GGCJJXNHKRFPRU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-5-20(14-6-8-15(26-4)9-7-14)18(24)22(19(25)21-20)11-17(23)16-10-12(2)27-13(16)3/h6-10H,5,11H2,1-4H3,(H,21,25)/t20-/m1/s1.
What are the key properties of (5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
(5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 386.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7630821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).