N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C16H21N3O2S — CID 733723

IUPACN-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)NC3CCCCC3)cnc2s1
InChIInChI=1S/C16H21N3O2S/c1-2-12-8-13-15(22-12)17-10-19(16(13)21)9-14(20)18-11-6-4-3-5-7-11/h8,10-11H,2-7,9H2,1H3,(H,18,20)
InChIKeyQAPKDOLKLWHDSW-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.47
Rot. Bonds4

About N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 733723) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID733723
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)NC3CCCCC3)cnc2s1
InChIInChI=1S/C16H21N3O2S/c1-2-12-8-13-15(22-12)17-10-19(16(13)21)9-14(20)18-11-6-4-3-5-7-11/h8,10-11H,2-7,9H2,1H3,(H,18,20)
InChIKeyQAPKDOLKLWHDSW-UHFFFAOYSA-N
XLogP2.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 733723) is N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCc1cc2c(=O)n(CC(=O)NC3CCCCC3)cnc2s1.
What is the InChIKey of N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is QAPKDOLKLWHDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-2-12-8-13-15(22-12)17-10-19(16(13)21)9-14(20)18-11-6-4-3-5-7-11/h8,10-11H,2-7,9H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 733723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).