2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium

C20H19N2O2S2+ — CID 8800688

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium
SMILESO=C1c2ccccc2C(=O)N1CC[NH+](Cc1cccs1)Cc1cccs1
InChIInChI=1S/C20H18N2O2S2/c23-19-17-7-1-2-8-18(17)20(24)22(19)10-9-21(13-15-5-3-11-25-15)14-16-6-4-12-26-16/h1-8,11-12H,9-10,13-14H2/p+1
InChIKeyUKOCQOSTQKTJKI-UHFFFAOYSA-O
MW383.52 g/mol
LogP2.69
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium

2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium (PubChem CID 8800688) has the molecular formula C20H19N2O2S2+ and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium
PubChem CID8800688
Molecular FormulaC20H19N2O2S2+
Molecular Weight383.52 g/mol
Exact Mass383.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium
SMILESO=C1c2ccccc2C(=O)N1CC[NH+](Cc1cccs1)Cc1cccs1
InChIInChI=1S/C20H18N2O2S2/c23-19-17-7-1-2-8-18(17)20(24)22(19)10-9-21(13-15-5-3-11-25-15)14-16-6-4-12-26-16/h1-8,11-12H,9-10,13-14H2/p+1
InChIKeyUKOCQOSTQKTJKI-UHFFFAOYSA-O
XLogP2.69
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)ethyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8792516
2-(10-thiophen-2-yldecyl)isoindole-1,3-dione
CID 22115174
3-(1,3-dioxoisoindol-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 46401942
2-[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethyl]isoindole-1,3-dione
CID 8926032
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]isoindole-1,3-dione
CID 167958699
2-[4-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 108536450
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-(1,3-dioxoisoindol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 9194353
2-[2-(1,3-dioxoinden-2-yl)ethyl]isoindole-1,3-dione
CID 59938130
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 8944452
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733447
2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione
CID 15579968

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium (CID 8800688) is 2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium is O=C1c2ccccc2C(=O)N1CC[NH+](Cc1cccs1)Cc1cccs1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium?
The InChIKey is UKOCQOSTQKTJKI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18N2O2S2/c23-19-17-7-1-2-8-18(17)20(24)22(19)10-9-21(13-15-5-3-11-25-15)14-16-6-4-12-26-16/h1-8,11-12H,9-10,13-14H2/p+1.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium?
2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium has a molecular weight of 383.52 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8800688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).