N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C14H16N4O3S — CID 8594272

IUPACN-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NC(=O)NC1CCCC1
InChIInChI=1S/C14H16N4O3S/c19-11(17-14(21)16-9-3-1-2-4-9)7-18-8-15-12-10(13(18)20)5-6-22-12/h5-6,8-9H,1-4,7H2,(H2,16,17,19,21)
InChIKeyMILIINTUYLMGAZ-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.23
Rot. Bonds3

About N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 8594272) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID8594272
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NC(=O)NC1CCCC1
InChIInChI=1S/C14H16N4O3S/c19-11(17-14(21)16-9-3-1-2-4-9)7-18-8-15-12-10(13(18)20)5-6-22-12/h5-6,8-9H,1-4,7H2,(H2,16,17,19,21)
InChIKeyMILIINTUYLMGAZ-UHFFFAOYSA-N
XLogP1.23
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 8594272) is N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sccc2c1=O)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is MILIINTUYLMGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c19-11(17-14(21)16-9-3-1-2-4-9)7-18-8-15-12-10(13(18)20)5-6-22-12/h5-6,8-9H,1-4,7H2,(H2,16,17,19,21).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 320.37 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 8594272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).