(5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione

C20H21ClN2O3S — CID 8639227

IUPAC(5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H21ClN2O3S/c1-3-20(14-4-8-16(26-2)9-5-14)18(24)23(19(25)22-20)12-13-27-17-10-6-15(21)7-11-17/h4-11H,3,12-13H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyHOHKPUWGRQWHGG-FQEVSTJZSA-N
MW404.92 g/mol
LogP4.30
Rot. Bonds7

About (5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione

(5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 8639227) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is (5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID8639227
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC Name(5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H21ClN2O3S/c1-3-20(14-4-8-16(26-2)9-5-14)18(24)23(19(25)22-20)12-13-27-17-10-6-15(21)7-11-17/h4-11H,3,12-13H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyHOHKPUWGRQWHGG-FQEVSTJZSA-N
XLogP4.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 54.30
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-ethyl-5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 4804726
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2584670
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595657
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595658
5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione
CID 18272138
5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione
CID 18284754
5-(4-chlorophenyl)-5-ethyl-3-(3-hydroxy-3-methylbutyl)imidazolidine-2,4-dione
CID 111825022
5-(4-chlorophenyl)-5-ethyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42982813
4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid
CID 82148971
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]imidazolidine-2,4-dione
CID 7181335
(5R)-5-(4-chlorophenyl)-5-ethyl-3-prop-2-enylimidazolidine-2,4-dione
CID 97026004

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (CID 8639227) is (5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O.
What is the InChIKey of (5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is HOHKPUWGRQWHGG-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c1-3-20(14-4-8-16(26-2)9-5-14)18(24)23(19(25)22-20)12-13-27-17-10-6-15(21)7-11-17/h4-11H,3,12-13H2,1-2H3,(H,22,25)/t20-/m0/s1.
What are the key properties of (5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
(5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 404.92 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(4-chlorophenyl)sulfanylethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 8639227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).