[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate

C20H20N2O3S — CID 18288032

IUPAC[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate
SMILESO=C(CCn1ccc2ccccc21)OCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C20H20N2O3S/c23-19(22-10-6-18-16(13-22)8-12-26-18)14-25-20(24)7-11-21-9-5-15-3-1-2-4-17(15)21/h1-5,8-9,12H,6-7,10-11,13-14H2
InChIKeyOZWUVQYRQWYVKG-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.22
Rot. Bonds5

About [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate

[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate (PubChem CID 18288032) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate.

Molecular Properties

Compound Name[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate
PubChem CID18288032
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate
SMILESO=C(CCn1ccc2ccccc21)OCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C20H20N2O3S/c23-19(22-10-6-18-16(13-22)8-12-26-18)14-25-20(24)7-11-21-9-5-15-3-1-2-4-17(15)21/h1-5,8-9,12H,6-7,10-11,13-14H2
InChIKeyOZWUVQYRQWYVKG-UHFFFAOYSA-N
XLogP3.22
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate with MolForge

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Related Compounds

1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111341870
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-methyl-2-phenylpentanoate
CID 55503722
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxyphenoxy)ethanone
CID 42470135
2-(benzimidazol-1-yl)-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]ethanimidamide
CID 126812082
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 41214888
1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-indol-1-ylpropan-1-one
CID 18274433
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 26026073
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55503131
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 56816880
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone
CID 75521054
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 30001704

Frequently Asked Questions

What is the IUPAC name of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate?
The IUPAC name of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate (CID 18288032) is [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate.
What is the SMILES notation for [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate?
The canonical SMILES for [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate is O=C(CCn1ccc2ccccc21)OCC(=O)N1CCc2sccc2C1.
What is the InChIKey of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate?
The InChIKey is OZWUVQYRQWYVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c23-19(22-10-6-18-16(13-22)8-12-26-18)14-25-20(24)7-11-21-9-5-15-3-1-2-4-17(15)21/h1-5,8-9,12H,6-7,10-11,13-14H2.
What are the key properties of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate?
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate has a molecular weight of 368.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate is sourced from PubChem (CID 18288032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).