2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide

C17H14N2O3S — CID 110711248

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NC1CC1c1cccs1
InChIInChI=1S/C17H14N2O3S/c20-15(18-13-8-12(13)14-6-3-7-23-14)9-19-16(21)10-4-1-2-5-11(10)17(19)22/h1-7,12-13H,8-9H2,(H,18,20)
InChIKeyWUOYSTBUEQJGLO-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.02
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide (PubChem CID 110711248) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
PubChem CID110711248
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NC1CC1c1cccs1
InChIInChI=1S/C17H14N2O3S/c20-15(18-13-8-12(13)14-6-3-7-23-14)9-19-16(21)10-4-1-2-5-11(10)17(19)22/h1-7,12-13H,8-9H2,(H,18,20)
InChIKeyWUOYSTBUEQJGLO-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.02
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-(4-methylphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
CID 110711273
3-phenyl-N-(2-thiophen-2-ylcyclopropyl)propanamide
CID 110711244
2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide
CID 56930780
2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide
CID 51286975
2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108551988
2-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7777606
2-(2-fluorophenoxy)-N-(2-thiophen-2-ylcyclopropyl)acetamide
CID 110711280
4-methyl-N-(2-thiophen-2-ylcyclopropyl)benzamide
CID 110711228
2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
CID 110741722
2-(1,3-dioxoisoindol-2-yl)-N-(2-oxothiolan-3-yl)acetamide
CID 2904820
N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119477416
2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051678

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide (CID 110711248) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NC1CC1c1cccs1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide?
The InChIKey is WUOYSTBUEQJGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-15(18-13-8-12(13)14-6-3-7-23-14)9-19-16(21)10-4-1-2-5-11(10)17(19)22/h1-7,12-13H,8-9H2,(H,18,20).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.02, 4 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)-N-(2-thiophen-2-ylcyclopropyl)acetamide is sourced from PubChem (CID 110711248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).