2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide

C14H19N3O3S2 — CID 46567854

IUPAC2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCCn1c(SCC(=O)NC(C)COC)nc2ccsc2c1=O
InChIInChI=1S/C14H19N3O3S2/c1-4-17-13(19)12-10(5-6-21-12)16-14(17)22-8-11(18)15-9(2)7-20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyVAEJTSUXJGIJRJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.72
Rot. Bonds7

About 2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide

2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 46567854) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
PubChem CID46567854
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC Name2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCCn1c(SCC(=O)NC(C)COC)nc2ccsc2c1=O
InChIInChI=1S/C14H19N3O3S2/c1-4-17-13(19)12-10(5-6-21-12)16-14(17)22-8-11(18)15-9(2)7-20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyVAEJTSUXJGIJRJ-UHFFFAOYSA-N
XLogP1.72
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide (CID 46567854) is 2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide is CCn1c(SCC(=O)NC(C)COC)nc2ccsc2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is VAEJTSUXJGIJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-4-17-13(19)12-10(5-6-21-12)16-14(17)22-8-11(18)15-9(2)7-20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18).
What are the key properties of 2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide?
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 341.46 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 46567854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).