(1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate

C20H18N2O3S — CID 166243406

IUPAC(1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate
SMILESO=C(OCC1CC(=O)N(Cc2ccccc2)C1)c1cncc2sccc12
InChIInChI=1S/C20H18N2O3S/c23-19-8-15(12-22(19)11-14-4-2-1-3-5-14)13-25-20(24)17-9-21-10-18-16(17)6-7-26-18/h1-7,9-10,15H,8,11-13H2
InChIKeyVROYQCOPCVQDQH-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.50
Rot. Bonds5

About (1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate

(1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate (PubChem CID 166243406) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is (1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Name(1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate
PubChem CID166243406
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name(1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate
SMILESO=C(OCC1CC(=O)N(Cc2ccccc2)C1)c1cncc2sccc12
InChIInChI=1S/C20H18N2O3S/c23-19-8-15(12-22(19)11-14-4-2-1-3-5-14)13-25-20(24)17-9-21-10-18-16(17)6-7-26-18/h1-7,9-10,15H,8,11-13H2
InChIKeyVROYQCOPCVQDQH-UHFFFAOYSA-N
XLogP3.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate?
The IUPAC name of (1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate (CID 166243406) is (1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for (1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for (1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate is O=C(OCC1CC(=O)N(Cc2ccccc2)C1)c1cncc2sccc12.
What is the InChIKey of (1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate?
The InChIKey is VROYQCOPCVQDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-19-8-15(12-22(19)11-14-4-2-1-3-5-14)13-25-20(24)17-9-21-10-18-16(17)6-7-26-18/h1-7,9-10,15H,8,11-13H2.
What are the key properties of (1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate?
(1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate has a molecular weight of 366.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 166243406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).