2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone

C17H12N2O2S2 — CID 3483703

IUPAC2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone
SMILESCc1nc(SCC(=O)c2cccs2)c2oc3ccccc3c2n1
InChIInChI=1S/C17H12N2O2S2/c1-10-18-15-11-5-2-3-6-13(11)21-16(15)17(19-10)23-9-12(20)14-7-4-8-22-14/h2-8H,9H2,1H3
InChIKeyDDXLMKGMXCUBRM-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.72
Rot. Bonds4

About 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone

2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone (PubChem CID 3483703) has the molecular formula C17H12N2O2S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone
PubChem CID3483703
Molecular FormulaC17H12N2O2S2
Molecular Weight340.43 g/mol
Exact Mass340.03
IUPAC Name2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone
SMILESCc1nc(SCC(=O)c2cccs2)c2oc3ccccc3c2n1
InChIInChI=1S/C17H12N2O2S2/c1-10-18-15-11-5-2-3-6-13(11)21-16(15)17(19-10)23-9-12(20)14-7-4-8-22-14/h2-8H,9H2,1H3
InChIKeyDDXLMKGMXCUBRM-UHFFFAOYSA-N
XLogP4.72
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone with MolForge

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Related Compounds

4-((2-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine
CID 663391
4-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 664279
4-[(4-Fluorophenyl)methylsulfanyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 3458131
4-[(3-Fluorobenzyl)sulfanyl]-2-methyl[1]benzofuro[3,2-d]pyrimidine
CID 3622707
2-[(2-Phenyl-4-benzofuro[3,2-d]pyrimidinyl)thio]acetic acid
CID 646771
2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-methylphenyl)acetamide
CID 3452486
4-(Furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 4012037
4-(2-Pyridinylthio)benzofuro[3,2-d]pyrimidine
CID 624350
3-([1]Benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)propanenitrile
CID 663378
2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-fluorophenyl)acetamide
CID 663542
4-((4-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine
CID 663707
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
CID 663905

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone (CID 3483703) is 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone is Cc1nc(SCC(=O)c2cccs2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone?
The InChIKey is DDXLMKGMXCUBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S2/c1-10-18-15-11-5-2-3-6-13(11)21-16(15)17(19-10)23-9-12(20)14-7-4-8-22-14/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone?
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone has a molecular weight of 340.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 3483703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).