2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide

C14H9ClN2O3S — CID 41340531

IUPAC2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C14H9ClN2O3S/c15-11-4-2-8(21-11)6-12(18)16-7-1-3-9-10(5-7)14(20)17-13(9)19/h1-5H,6H2,(H,16,18)(H,17,19,20)
InChIKeyGUIBSYISULDMIO-UHFFFAOYSA-N
MW320.76 g/mol
LogP2.47
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide

2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 41340531) has the molecular formula C14H9ClN2O3S and a molecular weight of 320.76 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide
PubChem CID41340531
Molecular FormulaC14H9ClN2O3S
Molecular Weight320.76 g/mol
Exact Mass320.00
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C14H9ClN2O3S/c15-11-4-2-8(21-11)6-12(18)16-7-1-3-9-10(5-7)14(20)17-13(9)19/h1-5H,6H2,(H,16,18)(H,17,19,20)
InChIKeyGUIBSYISULDMIO-UHFFFAOYSA-N
XLogP2.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 52.47
H-Bond Donors ≤ 52
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 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide (CID 41340531) is 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide is O=C(Cc1ccc(Cl)s1)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is GUIBSYISULDMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3S/c15-11-4-2-8(21-11)6-12(18)16-7-1-3-9-10(5-7)14(20)17-13(9)19/h1-5H,6H2,(H,16,18)(H,17,19,20).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide?
2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 320.76 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 41340531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).