N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide

C26H24N2O6S2 — CID 73253906

About N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 73253906) has the molecular formula C26H24N2O6S2 and a molecular weight of 524.62 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 73253906
• Molecular Formula: C26H24N2O6S2
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.11
• IUPAC Name: N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(-c2cc(C(=O)N(Cc3ccc(Sc4ccccc4)o3)C3CCS(=O)(=O)C3)no2)cc1
• InChI: InChI=1S/C26H24N2O6S2/c1-32-20-9-7-18(8-10-20)24-15-23(27-34-24)26(29)28(19-13-14-36(30,31)17-19)16-21-11-12-25(33-21)35-22-5-3-2-4-6-22/h2-12,15,19H,13-14,16-17H2,1H3
• InChIKey: JCUMOYRHBZACFU-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 102.85 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 73253906) is N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)N(Cc3ccc(Sc4ccccc4)o3)C3CCS(=O)(=O)C3)no2)cc1.

What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is JCUMOYRHBZACFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S2/c1-32-20-9-7-18(8-10-20)24-15-23(27-34-24)26(29)28(19-13-14-36(30,31)17-19)16-21-11-12-25(33-21)35-22-5-3-2-4-6-22/h2-12,15,19H,13-14,16-17H2,1H3.

What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide?

N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 524.62 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)-N-[(5-phenylsulfanylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 73253906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).