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

C20H14N2O3S — CID 51286975

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1-c1cccs1
InChIInChI=1S/C20H14N2O3S/c23-18(12-22-19(24)13-6-1-2-7-14(13)20(22)25)21-16-9-4-3-8-15(16)17-10-5-11-26-17/h1-11H,12H2,(H,21,23)
InChIKeyVXRKEPDUMDQWDP-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.65
Rot. Bonds4

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

2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide (PubChem CID 51286975) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide
PubChem CID51286975
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1-c1cccs1
InChIInChI=1S/C20H14N2O3S/c23-18(12-22-19(24)13-6-1-2-7-14(13)20(22)25)21-16-9-4-3-8-15(16)17-10-5-11-26-17/h1-11H,12H2,(H,21,23)
InChIKeyVXRKEPDUMDQWDP-UHFFFAOYSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.65
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-piperazin-1-yl-N-(2-thiophen-2-ylphenyl)acetamide
CID 60850013
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-thiophen-2-ylphenyl)acetamide
CID 16577576
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 4692603
3-(tert-butylamino)-N-(2-thiophen-2-ylphenyl)propanamide
CID 60850106
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 121169761
3-methyl-5-oxo-5-(2-thiophen-2-ylanilino)pentanoic acid
CID 62966107
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]thiophene-3-carboxylate
CID 7166886
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylphenyl)acetamide;hydrochloride
CID 119399994
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767299
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide (CID 51286975) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1-c1cccs1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide?
The InChIKey is VXRKEPDUMDQWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-18(12-22-19(24)13-6-1-2-7-14(13)20(22)25)21-16-9-4-3-8-15(16)17-10-5-11-26-17/h1-11H,12H2,(H,21,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 3.65, 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-ylphenyl)acetamide is sourced from PubChem (CID 51286975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).