1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone

C16H17NOS — CID 116613118

IUPAC1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc3c(c2)CNC3)s1
InChIInChI=1S/C16H17NOS/c1-2-14-5-6-15(19-14)8-16(18)11-3-4-12-9-17-10-13(12)7-11/h3-7,17H,2,8-10H2,1H3
InChIKeyRMLGDIQAKGBBMS-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.34
Rot. Bonds4

About 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone

1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone (PubChem CID 116613118) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone
PubChem CID116613118
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc3c(c2)CNC3)s1
InChIInChI=1S/C16H17NOS/c1-2-14-5-6-15(19-14)8-16(18)11-3-4-12-9-17-10-13(12)7-11/h3-7,17H,2,8-10H2,1H3
InChIKeyRMLGDIQAKGBBMS-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone (CID 116613118) is 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(CC(=O)c2ccc3c(c2)CNC3)s1.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is RMLGDIQAKGBBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-14-5-6-15(19-14)8-16(18)11-3-4-12-9-17-10-13(12)7-11/h3-7,17H,2,8-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone?
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 271.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 116613118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).