N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C15H18N4O3S — CID 39951465

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C15H18N4O3S/c20-12(16-5-3-13(21)18-6-1-2-7-18)9-19-10-17-14-11(15(19)22)4-8-23-14/h4,8,10H,1-3,5-7,9H2,(H,16,20)
InChIKeyBQYWELXHRFWLNF-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.59
Rot. Bonds5

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 39951465) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID39951465
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C15H18N4O3S/c20-12(16-5-3-13(21)18-6-1-2-7-18)9-19-10-17-14-11(15(19)22)4-8-23-14/h4,8,10H,1-3,5-7,9H2,(H,16,20)
InChIKeyBQYWELXHRFWLNF-UHFFFAOYSA-N
XLogP0.59
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 39951465) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sccc2c1=O)NCCC(=O)N1CCCC1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is BQYWELXHRFWLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c20-12(16-5-3-13(21)18-6-1-2-7-18)9-19-10-17-14-11(15(19)22)4-8-23-14/h4,8,10H,1-3,5-7,9H2,(H,16,20).
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 334.40 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 39951465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).