N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide

C17H17N3O2S3 — CID 8521680

IUPACN-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
SMILESCCc1cc2c(SCC(=O)c3ccc(CNC(C)=O)s3)ncnc2s1
InChIInChI=1S/C17H17N3O2S3/c1-3-11-6-13-16(19-9-20-17(13)25-11)23-8-14(22)15-5-4-12(24-15)7-18-10(2)21/h4-6,9H,3,7-8H2,1-2H3,(H,18,21)
InChIKeyOYBCNFZJFMBFML-UHFFFAOYSA-N
MW391.54 g/mol
LogP3.93
Rot. Bonds7

About N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide (PubChem CID 8521680) has the molecular formula C17H17N3O2S3 and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
PubChem CID8521680
Molecular FormulaC17H17N3O2S3
Molecular Weight391.54 g/mol
Exact Mass391.05
IUPAC NameN-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
SMILESCCc1cc2c(SCC(=O)c3ccc(CNC(C)=O)s3)ncnc2s1
InChIInChI=1S/C17H17N3O2S3/c1-3-11-6-13-16(19-9-20-17(13)25-11)23-8-14(22)15-5-4-12(24-15)7-18-10(2)21/h4-6,9H,3,7-8H2,1-2H3,(H,18,21)
InChIKeyOYBCNFZJFMBFML-UHFFFAOYSA-N
XLogP3.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide with MolForge

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Related Compounds

1-(4-chlorophenyl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 696855
N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 9265700
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8570411
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8570291
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 39083157
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione
CID 4826571
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 9440058
N-[[5-[2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]-2-pyridin-2-ylacetamide
CID 168951102
4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine
CID 962610
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 27927259
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 8570360
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 27927265

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide (CID 8521680) is N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide is CCc1cc2c(SCC(=O)c3ccc(CNC(C)=O)s3)ncnc2s1.
What is the InChIKey of N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is OYBCNFZJFMBFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S3/c1-3-11-6-13-16(19-9-20-17(13)25-11)23-8-14(22)15-5-4-12(24-15)7-18-10(2)21/h4-6,9H,3,7-8H2,1-2H3,(H,18,21).
What are the key properties of N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 391.54 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 8521680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).