(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione

C23H20N4O4S — CID 67579936

IUPAC(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione
SMILESCCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccn4)s3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H20N4O4S/c1-2-31-15-7-6-14-12-27(20(28)16(14)11-15)13-23(21(29)25-22(30)26-23)19-9-8-18(32-19)17-5-3-4-10-24-17/h3-11H,2,12-13H2,1H3,(H2,25,26,29,30)/t23-/m0/s1
InChIKeyJUFWVVLHCSCBIU-QHCPKHFHSA-N
MW448.50 g/mol
LogP2.90
Rot. Bonds6

About (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione

(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione (PubChem CID 67579936) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione
PubChem CID67579936
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione
SMILESCCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccn4)s3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H20N4O4S/c1-2-31-15-7-6-14-12-27(20(28)16(14)11-15)13-23(21(29)25-22(30)26-23)19-9-8-18(32-19)17-5-3-4-10-24-17/h3-11H,2,12-13H2,1H3,(H2,25,26,29,30)/t23-/m0/s1
InChIKeyJUFWVVLHCSCBIU-QHCPKHFHSA-N
XLogP2.90
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione (CID 67579936) is (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione is CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccn4)s3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione?
The InChIKey is JUFWVVLHCSCBIU-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-2-31-15-7-6-14-12-27(20(28)16(14)11-15)13-23(21(29)25-22(30)26-23)19-9-8-18(32-19)17-5-3-4-10-24-17/h3-11H,2,12-13H2,1H3,(H2,25,26,29,30)/t23-/m0/s1.
What are the key properties of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione?
(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione has a molecular weight of 448.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-pyridin-2-ylthiophen-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 67579936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).