6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one

C22H18N2O2S2 — CID 1049646

IUPAC6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)c3ccccc3)nc2s1
InChIInChI=1S/C22H18N2O2S2/c1-2-17-13-18-20(28-17)23-22(24(21(18)26)16-11-7-4-8-12-16)27-14-19(25)15-9-5-3-6-10-15/h3-13H,2,14H2,1H3
InChIKeyJVLCGWQONFTWLW-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.98
Rot. Bonds6

About 6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one

6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 1049646) has the molecular formula C22H18N2O2S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID1049646
Molecular FormulaC22H18N2O2S2
Molecular Weight406.53 g/mol
Exact Mass406.08
IUPAC Name6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)c3ccccc3)nc2s1
InChIInChI=1S/C22H18N2O2S2/c1-2-17-13-18-20(28-17)23-22(24(21(18)26)16-11-7-4-8-12-16)27-14-19(25)15-9-5-3-6-10-15/h3-13H,2,14H2,1H3
InChIKeyJVLCGWQONFTWLW-UHFFFAOYSA-N
XLogP4.98
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 1123745
N-(3,5-dichlorophenyl)-2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35476630
2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135437697
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 35476750
2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136717869
N-(3-chlorophenyl)-2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 989671
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35476671
6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one
CID 135402231
2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
CID 7174412
2-[3-(4-chlorophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 989840
3-(4-methoxyphenyl)-5,6-dimethyl-2-phenacylsulfanylthieno[2,3-d]pyrimidin-4-one
CID 1156299
6-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 6488789

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one (CID 1049646) is 6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)c3ccccc3)nc2s1.
What is the InChIKey of 6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is JVLCGWQONFTWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S2/c1-2-17-13-18-20(28-17)23-22(24(21(18)26)16-11-7-4-8-12-16)27-14-19(25)15-9-5-3-6-10-15/h3-13H,2,14H2,1H3.
What are the key properties of 6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 406.53 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1049646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).