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

C16H20N4O3S — CID 24633459

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C16H20N4O3S/c21-13(17-6-3-14(22)19-7-1-2-8-19)4-9-20-11-18-15-12(16(20)23)5-10-24-15/h5,10-11H,1-4,6-9H2,(H,17,21)
InChIKeyDPEJURDMGROIIH-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.98
Rot. Bonds6

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

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 24633459) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID24633459
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C16H20N4O3S/c21-13(17-6-3-14(22)19-7-1-2-8-19)4-9-20-11-18-15-12(16(20)23)5-10-24-15/h5,10-11H,1-4,6-9H2,(H,17,21)
InChIKeyDPEJURDMGROIIH-UHFFFAOYSA-N
XLogP0.98
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.98
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)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 24633459) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is O=C(CCn1cnc2sccc2c1=O)NCCC(=O)N1CCCC1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is DPEJURDMGROIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c21-13(17-6-3-14(22)19-7-1-2-8-19)4-9-20-11-18-15-12(16(20)23)5-10-24-15/h5,10-11H,1-4,6-9H2,(H,17,21).
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 348.43 g/mol, XLogP of 0.98, 6 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)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 24633459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).