2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide

C24H17N3O4S — CID 26066325

IUPAC2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1
InChIInChI=1S/C24H17N3O4S/c1-14-4-6-15(7-5-14)20-13-32-24(25-20)26-21(28)16-8-9-18-19(11-16)23(30)27(22(18)29)12-17-3-2-10-31-17/h2-11,13H,12H2,1H3,(H,25,26,28)
InChIKeyQGWVNZLDSSQIFV-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.76
Rot. Bonds5

About 2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide

2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 26066325) has the molecular formula C24H17N3O4S and a molecular weight of 443.48 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID26066325
Molecular FormulaC24H17N3O4S
Molecular Weight443.48 g/mol
Exact Mass443.09
IUPAC Name2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1
InChIInChI=1S/C24H17N3O4S/c1-14-4-6-15(7-5-14)20-13-32-24(25-20)26-21(28)16-8-9-18-19(11-16)23(30)27(22(18)29)12-17-3-2-10-31-17/h2-11,13H,12H2,1H3,(H,25,26,28)
InChIKeyQGWVNZLDSSQIFV-UHFFFAOYSA-N
XLogP4.76
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.76
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

N-(2,5-dimethylphenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26909352
2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide
CID 17361516
1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 108769722
2-(3-methoxypropyl)-1,3-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 17496752
methyl 3-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]thiophene-2-carboxylate
CID 43013635
2-(furan-2-ylmethyl)-1,3-dioxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]isoindole-5-carboxamide
CID 86949797
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 17493085
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 17499132
2-(furan-2-ylmethyl)-1,3-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]isoindole-5-carboxamide
CID 55610660
N-(2,3-dichlorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 46797627
[2-(4-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 2490989
N-(3,5-dibromo-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 17296237

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide (CID 26066325) is 2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccco3)C4=O)n2)cc1.
What is the InChIKey of 2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is QGWVNZLDSSQIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4S/c1-14-4-6-15(7-5-14)20-13-32-24(25-20)26-21(28)16-8-9-18-19(11-16)23(30)27(22(18)29)12-17-3-2-10-31-17/h2-11,13H,12H2,1H3,(H,25,26,28).
What are the key properties of 2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide?
2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 26066325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).