2-(10-thiophen-2-yldecyl)isoindole-1,3-dione

C22H27NO2S — CID 22115174

IUPAC2-(10-thiophen-2-yldecyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCCc1cccs1
InChIInChI=1S/C22H27NO2S/c24-21-19-14-8-9-15-20(19)22(25)23(21)16-10-6-4-2-1-3-5-7-12-18-13-11-17-26-18/h8-9,11,13-15,17H,1-7,10,12,16H2
InChIKeyUUVBVMCXNBBRJA-UHFFFAOYSA-N
MW369.53 g/mol
LogP5.71
Rot. Bonds11

About 2-(10-thiophen-2-yldecyl)isoindole-1,3-dione

2-(10-thiophen-2-yldecyl)isoindole-1,3-dione (PubChem CID 22115174) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is 2-(10-thiophen-2-yldecyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(10-thiophen-2-yldecyl)isoindole-1,3-dione
PubChem CID22115174
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name2-(10-thiophen-2-yldecyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCCc1cccs1
InChIInChI=1S/C22H27NO2S/c24-21-19-14-8-9-15-20(19)22(25)23(21)16-10-6-4-2-1-3-5-7-12-18-13-11-17-26-18/h8-9,11,13-15,17H,1-7,10,12,16H2
InChIKeyUUVBVMCXNBBRJA-UHFFFAOYSA-N
XLogP5.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-(1,3-dioxoisoindol-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 46401942
2-(1,3-dioxoisoindol-2-yl)ethyl-bis(thiophen-2-ylmethyl)azanium
CID 8800688
2-[4-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 108536450
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
2-[4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butyl]isoindole-1,3-dione
CID 16576692
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 8944452
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
CID 88976080
CID 88976080
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733447
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-thiophen-2-ylethyl)butanamide
CID 27770177

Frequently Asked Questions

What is the IUPAC name of 2-(10-thiophen-2-yldecyl)isoindole-1,3-dione?
The IUPAC name of 2-(10-thiophen-2-yldecyl)isoindole-1,3-dione (CID 22115174) is 2-(10-thiophen-2-yldecyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(10-thiophen-2-yldecyl)isoindole-1,3-dione?
The canonical SMILES for 2-(10-thiophen-2-yldecyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCCCCCCc1cccs1.
What is the InChIKey of 2-(10-thiophen-2-yldecyl)isoindole-1,3-dione?
The InChIKey is UUVBVMCXNBBRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2S/c24-21-19-14-8-9-15-20(19)22(25)23(21)16-10-6-4-2-1-3-5-7-12-18-13-11-17-26-18/h8-9,11,13-15,17H,1-7,10,12,16H2.
What are the key properties of 2-(10-thiophen-2-yldecyl)isoindole-1,3-dione?
2-(10-thiophen-2-yldecyl)isoindole-1,3-dione has a molecular weight of 369.53 g/mol, XLogP of 5.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-thiophen-2-yldecyl)isoindole-1,3-dione is sourced from PubChem (CID 22115174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).