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

C18H19N3O2S — CID 18203072

IUPAC2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCCc1cc2c(=O)n(CC(=O)NCc3ccc(C)cc3)cnc2s1
InChIInChI=1S/C18H19N3O2S/c1-3-14-8-15-17(24-14)20-11-21(18(15)23)10-16(22)19-9-13-6-4-12(2)5-7-13/h4-8,11H,3,9-10H2,1-2H3,(H,19,22)
InChIKeyFJEVFAVRILHWBK-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.65
Rot. Bonds5

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

2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 18203072) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID18203072
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCCc1cc2c(=O)n(CC(=O)NCc3ccc(C)cc3)cnc2s1
InChIInChI=1S/C18H19N3O2S/c1-3-14-8-15-17(24-14)20-11-21(18(15)23)10-16(22)19-9-13-6-4-12(2)5-7-13/h4-8,11H,3,9-10H2,1-2H3,(H,19,22)
InChIKeyFJEVFAVRILHWBK-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 733717
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 18203223
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24558486
N-(2-bicyclo[1.1.1]pentanyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 164798854
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 121064318
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 78814974
N-[(3,4-dimethylphenyl)carbamoyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 33086255
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 18203122
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 18203087
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 38979915
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 87019046
6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 9145858

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 18203072) is 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide is CCc1cc2c(=O)n(CC(=O)NCc3ccc(C)cc3)cnc2s1.
What is the InChIKey of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is FJEVFAVRILHWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-14-8-15-17(24-14)20-11-21(18(15)23)10-16(22)19-9-13-6-4-12(2)5-7-13/h4-8,11H,3,9-10H2,1-2H3,(H,19,22).
What are the key properties of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 18203072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).