2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide

C22H23N3O4S3 — CID 4986011

About 2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide

2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide (PubChem CID 4986011) has the molecular formula C22H23N3O4S3 and a molecular weight of 489.64 g/mol. Its IUPAC name is 2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide.

Molecular Properties

• Compound Name: 2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide
• PubChem CID: 4986011
• Molecular Formula: C22H23N3O4S3
• Molecular Weight: 489.64 g/mol
• Exact Mass: 489.09
• IUPAC Name: 2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide
• SMILES: COc1ccccc1C(=O)NNC(=O)CCCCCN1C(=O)C(=Cc2cccs2)SC1=S
• InChI: InChI=1S/C22H23N3O4S3/c1-29-17-10-5-4-9-16(17)20(27)24-23-19(26)11-3-2-6-12-25-21(28)18(32-22(25)30)14-15-8-7-13-31-15/h4-5,7-10,13-14H,2-3,6,11-12H2,1H3,(H,23,26)(H,24,27)
• InChIKey: GWGMOWJJFLQKIN-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.64
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide?

The IUPAC name of 2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide (CID 4986011) is 2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide.

What is the SMILES notation for 2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide?

The canonical SMILES for 2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide is COc1ccccc1C(=O)NNC(=O)CCCCCN1C(=O)C(=Cc2cccs2)SC1=S.

What is the InChIKey of 2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide?

The InChIKey is GWGMOWJJFLQKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S3/c1-29-17-10-5-4-9-16(17)20(27)24-23-19(26)11-3-2-6-12-25-21(28)18(32-22(25)30)14-15-8-7-13-31-15/h4-5,7-10,13-14H,2-3,6,11-12H2,1H3,(H,23,26)(H,24,27).

What are the key properties of 2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide?

2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide has a molecular weight of 489.64 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N'-[6-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanoyl]benzohydrazide is sourced from PubChem (CID 4986011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).