N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide

C24H19N5O4S3 — CID 140974479

About N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide

N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide (PubChem CID 140974479) has the molecular formula C24H19N5O4S3 and a molecular weight of 537.65 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide
• PubChem CID: 140974479
• Molecular Formula: C24H19N5O4S3
• Molecular Weight: 537.65 g/mol
• Exact Mass: 537.06
• IUPAC Name: N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide
• SMILES: CN1C(c2cccs2)=C(c2ncco2)N(NS(=O)(=O)c2ccccc2)C1(c1ccco1)c1nccs1
• InChI: InChI=1S/C24H19N5O4S3/c1-28-20(18-9-6-15-34-18)21(22-25-11-14-33-22)29(27-36(30,31)17-7-3-2-4-8-17)24(28,19-10-5-13-32-19)23-26-12-16-35-23/h2-16,27H,1H3
• InChIKey: HEJBSFHLTZALSY-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 104.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.65
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide?

The IUPAC name of N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide (CID 140974479) is N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide.

What is the SMILES notation for N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide?

The canonical SMILES for N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide is CN1C(c2cccs2)=C(c2ncco2)N(NS(=O)(=O)c2ccccc2)C1(c1ccco1)c1nccs1.

What is the InChIKey of N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide?

The InChIKey is HEJBSFHLTZALSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O4S3/c1-28-20(18-9-6-15-34-18)21(22-25-11-14-33-22)29(27-36(30,31)17-7-3-2-4-8-17)24(28,19-10-5-13-32-19)23-26-12-16-35-23/h2-16,27H,1H3.

What are the key properties of N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide?

N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide has a molecular weight of 537.65 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-2-yl)-3-methyl-5-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 140974479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).