N-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide

C14H10N2O3S — CID 2848288

IUPACN-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H10N2O3S/c17-12(8-9-4-3-7-20-9)15-16-13(18)10-5-1-2-6-11(10)14(16)19/h1-7H,8H2,(H,15,17)
InChIKeyFRCAGHCBMIMFBG-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.62
Rot. Bonds3

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

N-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 2848288) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID2848288
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H10N2O3S/c17-12(8-9-4-3-7-20-9)15-16-13(18)10-5-1-2-6-11(10)14(16)19/h1-7H,8H2,(H,15,17)
InChIKeyFRCAGHCBMIMFBG-UHFFFAOYSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide (CID 2848288) is N-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is FRCAGHCBMIMFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-12(8-9-4-3-7-20-9)15-16-13(18)10-5-1-2-6-11(10)14(16)19/h1-7H,8H2,(H,15,17).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide?
N-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 286.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2848288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).