N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide

C22H19N3O5S3 — CID 51445664

About N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide

N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 51445664) has the molecular formula C22H19N3O5S3 and a molecular weight of 501.61 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 51445664
• Molecular Formula: C22H19N3O5S3
• Molecular Weight: 501.61 g/mol
• Exact Mass: 501.05
• IUPAC Name: N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide
• SMILES: COc1ccc(NC(=O)C[C@H]2SC(=NS(=O)(=O)c3cccs3)N(c3ccccc3)C2=O)cc1
• InChI: InChI=1S/C22H19N3O5S3/c1-30-17-11-9-15(10-12-17)23-19(26)14-18-21(27)25(16-6-3-2-4-7-16)22(32-18)24-33(28,29)20-8-5-13-31-20/h2-13,18H,14H2,1H3,(H,23,26)/t18-/m1/s1
• InChIKey: GAUOUCCIUHNPBQ-GOSISDBHSA-N
• XLogP: 3.98
• TPSA: 105.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.61
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide (CID 51445664) is N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide is COc1ccc(NC(=O)C[C@H]2SC(=NS(=O)(=O)c3cccs3)N(c3ccccc3)C2=O)cc1.

What is the InChIKey of N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is GAUOUCCIUHNPBQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H19N3O5S3/c1-30-17-11-9-15(10-12-17)23-19(26)14-18-21(27)25(16-6-3-2-4-7-16)22(32-18)24-33(28,29)20-8-5-13-31-20/h2-13,18H,14H2,1H3,(H,23,26)/t18-/m1/s1.

What are the key properties of N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide?

N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 501.61 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 51445664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).