2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide

C26H30N4O6S2 — CID 5165365

About 2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 5165365) has the molecular formula C26H30N4O6S2 and a molecular weight of 558.68 g/mol. Its IUPAC name is 2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
• PubChem CID: 5165365
• Molecular Formula: C26H30N4O6S2
• Molecular Weight: 558.68 g/mol
• Exact Mass: 558.16
• IUPAC Name: 2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
• SMILES: O=C(CC1S/C(=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)N(CC2CCCO2)C1=O)Nc1ccccc1
• InChI: InChI=1S/C26H30N4O6S2/c31-24(27-19-5-2-1-3-6-19)17-23-25(32)30(18-21-7-4-14-36-21)26(37-23)28-20-8-10-22(11-9-20)38(33,34)29-12-15-35-16-13-29/h1-3,5-6,8-11,21,23H,4,7,12-18H2,(H,27,31)/b28-26-
• InChIKey: XAZJTXALIDBVNA-SGEDCAFJSA-N
• XLogP: 2.85
• TPSA: 117.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.68
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?

The IUPAC name of 2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 5165365) is 2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide.

What is the SMILES notation for 2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?

The canonical SMILES for 2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(CC1S/C(=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)N(CC2CCCO2)C1=O)Nc1ccccc1.

What is the InChIKey of 2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?

The InChIKey is XAZJTXALIDBVNA-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H30N4O6S2/c31-24(27-19-5-2-1-3-6-19)17-23-25(32)30(18-21-7-4-14-36-21)26(37-23)28-20-8-10-22(11-9-20)38(33,34)29-12-15-35-16-13-29/h1-3,5-6,8-11,21,23H,4,7,12-18H2,(H,27,31)/b28-26-.

What are the key properties of 2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide?

2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 558.68 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 5165365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).