2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide

C14H9ClN2O3S — CID 41340452

IUPAC2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C14H9ClN2O3S/c15-10-5-4-7(21-10)6-11(18)16-9-3-1-2-8-12(9)14(20)17-13(8)19/h1-5H,6H2,(H,16,18)(H,17,19,20)
InChIKeyAVJDQTCXOCLQOG-UHFFFAOYSA-N
MW320.76 g/mol
LogP2.47
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide

2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide (PubChem CID 41340452) 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-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide
PubChem CID41340452
Molecular FormulaC14H9ClN2O3S
Molecular Weight320.76 g/mol
Exact Mass320.00
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C14H9ClN2O3S/c15-10-5-4-7(21-10)6-11(18)16-9-3-1-2-8-12(9)14(20)17-13(8)19/h1-5H,6H2,(H,16,18)(H,17,19,20)
InChIKeyAVJDQTCXOCLQOG-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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Related Compounds

N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide
CID 727482
(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787
2-(5-chlorothiophen-2-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41340579
2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide
CID 41340467
4-aminoisoindole-1,3-dione;5-chloro-N-(1,3-dioxoisoindol-4-yl)thiophene-2-carboxamide;5-chlorothiophene-2-carbonyl chloride;methane
CID 157268763
2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9322151
N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838342
N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 17362404
2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide
CID 2428874
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 41340458
5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide
CID 143568233

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide (CID 41340452) is 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide is O=C(Cc1ccc(Cl)s1)Nc1cccc2c1C(=O)NC2=O.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide?
The InChIKey is AVJDQTCXOCLQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3S/c15-10-5-4-7(21-10)6-11(18)16-9-3-1-2-8-12(9)14(20)17-13(8)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-4-yl)acetamide?
2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-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-4-yl)acetamide is sourced from PubChem (CID 41340452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).