5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide

C20H15N3O4S — CID 3986774

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1nccs1
InChIInChI=1S/C20H15N3O4S/c1-27-16-7-6-12(10-15(16)17(24)22-20-21-8-9-28-20)11-23-18(25)13-4-2-3-5-14(13)19(23)26/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyQHAJDENGTVXZKK-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.20
Rot. Bonds5

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 3986774) has the molecular formula C20H15N3O4S and a molecular weight of 393.42 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID3986774
Molecular FormulaC20H15N3O4S
Molecular Weight393.42 g/mol
Exact Mass393.08
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1nccs1
InChIInChI=1S/C20H15N3O4S/c1-27-16-7-6-12(10-15(16)17(24)22-20-21-8-9-28-20)11-23-18(25)13-4-2-3-5-14(13)19(23)26/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyQHAJDENGTVXZKK-UHFFFAOYSA-N
XLogP3.20
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670604
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 24509638
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 35034064
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5187669
N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 55722025
N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 18229091
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55672767
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 25360467
N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 55981745

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide (CID 3986774) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1nccs1.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is QHAJDENGTVXZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S/c1-27-16-7-6-12(10-15(16)17(24)22-20-21-8-9-28-20)11-23-18(25)13-4-2-3-5-14(13)19(23)26/h2-10H,11H2,1H3,(H,21,22,24).
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 393.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3986774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).