(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione

C15H17ClN2O3S — CID 2647644

IUPAC(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N[C@H](C2CCCCC2)C1=O)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O3S/c16-12-7-6-11(22-12)10(19)8-18-14(20)13(17-15(18)21)9-4-2-1-3-5-9/h6-7,9,13H,1-5,8H2,(H,17,21)/t13-/m1/s1
InChIKeyNQOZPKNUCLKEHS-CYBMUJFWSA-N
MW340.83 g/mol
LogP3.08
Rot. Bonds4

About (5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione

(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione (PubChem CID 2647644) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is (5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione
PubChem CID2647644
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N[C@H](C2CCCCC2)C1=O)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O3S/c16-12-7-6-11(22-12)10(19)8-18-14(20)13(17-15(18)21)9-4-2-1-3-5-9/h6-7,9,13H,1-5,8H2,(H,17,21)/t13-/m1/s1
InChIKeyNQOZPKNUCLKEHS-CYBMUJFWSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.08
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

1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62023826
1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one
CID 43161016
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 2372674
1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone
CID 60644172
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2710885
1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone
CID 62369289
1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690747
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
CID 55156736
1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 4014587
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123229
azepan-2-yl-(5-chlorothiophen-2-yl)methanone
CID 116582505
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 60623088

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione (CID 2647644) is (5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione is O=C(CN1C(=O)N[C@H](C2CCCCC2)C1=O)c1ccc(Cl)s1.
What is the InChIKey of (5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione?
The InChIKey is NQOZPKNUCLKEHS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c16-12-7-6-11(22-12)10(19)8-18-14(20)13(17-15(18)21)9-4-2-1-3-5-9/h6-7,9,13H,1-5,8H2,(H,17,21)/t13-/m1/s1.
What are the key properties of (5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione?
(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione has a molecular weight of 340.83 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-cyclohexylimidazolidine-2,4-dione is sourced from PubChem (CID 2647644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).