2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide

C24H16N4O5S — CID 17361516

IUPAC2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C24H16N4O5S/c29-20(27-24-25-9-11-34-24)14-3-6-16(7-4-14)26-21(30)15-5-8-18-19(12-15)23(32)28(22(18)31)13-17-2-1-10-33-17/h1-12H,13H2,(H,26,30)(H,25,27,29)
InChIKeyLHTOLSHCQTZKAQ-UHFFFAOYSA-N
MW472.48 g/mol
LogP4.04
Rot. Bonds6

About 2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide

2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide (PubChem CID 17361516) has the molecular formula C24H16N4O5S and a molecular weight of 472.48 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide
PubChem CID17361516
Molecular FormulaC24H16N4O5S
Molecular Weight472.48 g/mol
Exact Mass472.08
IUPAC Name2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C24H16N4O5S/c29-20(27-24-25-9-11-34-24)14-3-6-16(7-4-14)26-21(30)15-5-8-18-19(12-15)23(32)28(22(18)31)13-17-2-1-10-33-17/h1-12H,13H2,(H,26,30)(H,25,27,29)
InChIKeyLHTOLSHCQTZKAQ-UHFFFAOYSA-N
XLogP4.04
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-ylmethyl)-1,3-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]isoindole-5-carboxamide
CID 55610660
2-(furan-2-ylmethyl)-N-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 43025507
N-(3,4-difluorophenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26364452
N-(3,5-dibromo-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 17296237
2-[(2-chlorophenyl)methyl]-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 39042783
2-(furan-2-ylmethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
CID 26066325
methyl 3-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]thiophene-2-carboxylate
CID 43013635
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 17360605
2-(furan-2-ylmethyl)-1,3-dioxo-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 31302519
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 60578831
N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17361346
N-tert-butyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 839536

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide?
The IUPAC name of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide (CID 17361516) is 2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide is O=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide?
The InChIKey is LHTOLSHCQTZKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O5S/c29-20(27-24-25-9-11-34-24)14-3-6-16(7-4-14)26-21(30)15-5-8-18-19(12-15)23(32)28(22(18)31)13-17-2-1-10-33-17/h1-12H,13H2,(H,26,30)(H,25,27,29).
What are the key properties of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide?
2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide has a molecular weight of 472.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1,3-dioxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]isoindole-5-carboxamide is sourced from PubChem (CID 17361516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).