N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide

C38H36N4O4S4 — CID 6201558

About N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide

N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide (PubChem CID 6201558) has the molecular formula C38H36N4O4S4 and a molecular weight of 741.00 g/mol. Its IUPAC name is N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide
• PubChem CID: 6201558
• Molecular Formula: C38H36N4O4S4
• Molecular Weight: 741.00 g/mol
• Exact Mass: 740.16
• IUPAC Name: N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide
• SMILES: O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc4ccccc4c3)C2=O)SC1=S)Nc1ccc2ccccc2c1
• InChI: InChI=1S/C38H36N4O4S4/c43-31(39-29-19-17-25-11-5-7-13-27(25)23-29)15-3-1-9-21-41-35(45)33(49-37(41)47)34-36(46)42(38(48)50-34)22-10-2-4-16-32(44)40-30-20-18-26-12-6-8-14-28(26)24-30/h5-8,11-14,17-20,23-24H,1-4,9-10,15-16,21-22H2,(H,39,43)(H,40,44)/b34-33+
• InChIKey: MSCOBGFPEVCFTE-JEIPZWNWSA-N
• XLogP: 8.62
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.00
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide?

The IUPAC name of N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide (CID 6201558) is N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide.

What is the SMILES notation for N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide?

The canonical SMILES for N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide is O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc4ccccc4c3)C2=O)SC1=S)Nc1ccc2ccccc2c1.

What is the InChIKey of N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide?

The InChIKey is MSCOBGFPEVCFTE-JEIPZWNWSA-N. The full InChI is InChI=1S/C38H36N4O4S4/c43-31(39-29-19-17-25-11-5-7-13-27(25)23-29)15-3-1-9-21-41-35(45)33(49-37(41)47)34-36(46)42(38(48)50-34)22-10-2-4-16-32(44)40-30-20-18-26-12-6-8-14-28(26)24-30/h5-8,11-14,17-20,23-24H,1-4,9-10,15-16,21-22H2,(H,39,43)(H,40,44)/b34-33+.

What are the key properties of N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide?

N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide has a molecular weight of 741.00 g/mol, XLogP of 8.62, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-6-[(5E)-5-[3-[6-(naphthalen-2-ylamino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide is sourced from PubChem (CID 6201558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).