[1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C20H22N2O2S — CID 71886142

IUPAC[1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCOCCn1cc(C(=O)N2CCCC2c2cccs2)c2ccccc21
InChIInChI=1S/C20H22N2O2S/c1-24-12-11-21-14-16(15-6-2-3-7-17(15)21)20(23)22-10-4-8-18(22)19-9-5-13-25-19/h2-3,5-7,9,13-14,18H,4,8,10-12H2,1H3
InChIKeyNHTNCHPAHCBSMZ-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.33
Rot. Bonds5

About [1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

[1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 71886142) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is [1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID71886142
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name[1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCOCCn1cc(C(=O)N2CCCC2c2cccs2)c2ccccc21
InChIInChI=1S/C20H22N2O2S/c1-24-12-11-21-14-16(15-6-2-3-7-17(15)21)20(23)22-10-4-8-18(22)19-9-5-13-25-19/h2-3,5-7,9,13-14,18H,4,8,10-12H2,1H3
InChIKeyNHTNCHPAHCBSMZ-UHFFFAOYSA-N
XLogP4.33
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 71886142) is [1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is COCCn1cc(C(=O)N2CCCC2c2cccs2)c2ccccc21.
What is the InChIKey of [1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is NHTNCHPAHCBSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-24-12-11-21-14-16(15-6-2-3-7-17(15)21)20(23)22-10-4-8-18(22)19-9-5-13-25-19/h2-3,5-7,9,13-14,18H,4,8,10-12H2,1H3.
What are the key properties of [1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
[1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 354.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)indol-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 71886142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).