2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one

C24H21N3O2S2 — CID 35476750

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)N3CCc4ccccc43)nc2s1
InChIInChI=1S/C24H21N3O2S2/c1-2-18-14-19-22(31-18)25-24(27(23(19)29)17-9-4-3-5-10-17)30-15-21(28)26-13-12-16-8-6-7-11-20(16)26/h3-11,14H,2,12-13,15H2,1H3
InChIKeyANWCJDAZUOEQLD-UHFFFAOYSA-N
MW447.59 g/mol
LogP4.69
Rot. Bonds5

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 35476750) has the molecular formula C24H21N3O2S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID35476750
Molecular FormulaC24H21N3O2S2
Molecular Weight447.59 g/mol
Exact Mass447.11
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)N3CCc4ccccc43)nc2s1
InChIInChI=1S/C24H21N3O2S2/c1-2-18-14-19-22(31-18)25-24(27(23(19)29)17-9-4-3-5-10-17)30-15-21(28)26-13-12-16-8-6-7-11-20(16)26/h3-11,14H,2,12-13,15H2,1H3
InChIKeyANWCJDAZUOEQLD-UHFFFAOYSA-N
XLogP4.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one with MolForge

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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
6-ethyl-2-phenacylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 1049646
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 3945450
3-(3-chlorophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2081724
2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135437697
2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136717869
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
N-(3,5-dichlorophenyl)-2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35476630
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 16533100
N-(3-chlorophenyl)-2-(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 989671
1-(2,3-dihydroindol-1-yl)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2521483
6-chloro-3-(2,4-difluorophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 41148502

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one (CID 35476750) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)N3CCc4ccccc43)nc2s1.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is ANWCJDAZUOEQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S2/c1-2-18-14-19-22(31-18)25-24(27(23(19)29)17-9-4-3-5-10-17)30-15-21(28)26-13-12-16-8-6-7-11-20(16)26/h3-11,14H,2,12-13,15H2,1H3.
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 447.59 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 35476750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).