1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone

C22H19N3O2S — CID 665291

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
SMILESCCc1nc(SCC(=O)N2CCc3ccccc32)c2oc3ccccc3c2n1
InChIInChI=1S/C22H19N3O2S/c1-2-18-23-20-15-8-4-6-10-17(15)27-21(20)22(24-18)28-13-19(26)25-12-11-14-7-3-5-9-16(14)25/h3-10H,2,11-13H2,1H3
InChIKeyDJQZPCPBEVMTHF-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.62
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone (PubChem CID 665291) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
PubChem CID665291
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
SMILESCCc1nc(SCC(=O)N2CCc3ccccc32)c2oc3ccccc3c2n1
InChIInChI=1S/C22H19N3O2S/c1-2-18-23-20-15-8-4-6-10-17(15)27-21(20)22(24-18)28-13-19(26)25-12-11-14-7-3-5-9-16(14)25/h3-10H,2,11-13H2,1H3
InChIKeyDJQZPCPBEVMTHF-UHFFFAOYSA-N
XLogP4.62
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone (CID 665291) is 1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone is CCc1nc(SCC(=O)N2CCc3ccccc32)c2oc3ccccc3c2n1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone?
The InChIKey is DJQZPCPBEVMTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-2-18-23-20-15-8-4-6-10-17(15)27-21(20)22(24-18)28-13-19(26)25-12-11-14-7-3-5-9-16(14)25/h3-10H,2,11-13H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone has a molecular weight of 389.48 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone is sourced from PubChem (CID 665291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).