1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione

C14H13ClN2O4S — CID 2661441

IUPAC1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClN2O4S/c15-11-6-5-10(22-11)9(18)7-16-12(19)13(20)17(14(16)21)8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyAWKXSLXPPRMONJ-UHFFFAOYSA-N
MW340.79 g/mol
LogP2.32
Rot. Bonds4

About 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione

1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione (PubChem CID 2661441) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione
PubChem CID2661441
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClN2O4S/c15-11-6-5-10(22-11)9(18)7-16-12(19)13(20)17(14(16)21)8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyAWKXSLXPPRMONJ-UHFFFAOYSA-N
XLogP2.32
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione (CID 2661441) is 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione is O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione?
The InChIKey is AWKXSLXPPRMONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c15-11-6-5-10(22-11)9(18)7-16-12(19)13(20)17(14(16)21)8-3-1-2-4-8/h5-6,8H,1-4,7H2.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione?
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione has a molecular weight of 340.79 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione is sourced from PubChem (CID 2661441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).