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

C32H36N4O6S4 — CID 4756413

IUPAC6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide
SMILESCOc1ccc(NC(=O)CCCCCN2C(=O)C(=C3SC(=S)N(CCCCCC(=O)Nc4ccc(OC)cc4)C3=O)SC2=S)cc1
InChIInChI=1S/C32H36N4O6S4/c1-41-23-15-11-21(12-16-23)33-25(37)9-5-3-7-19-35-29(39)27(45-31(35)43)28-30(40)36(32(44)46-28)20-8-4-6-10-26(38)34-22-13-17-24(42-2)18-14-22/h11-18H,3-10,19-20H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyFAIZJJXUDOOCPZ-UHFFFAOYSA-N
MW700.93 g/mol
LogP6.33
Rot. Bonds16

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

6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide (PubChem CID 4756413) has the molecular formula C32H36N4O6S4 and a molecular weight of 700.93 g/mol. Its IUPAC name is 6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide.

Molecular Properties

Compound Name6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide
PubChem CID4756413
Molecular FormulaC32H36N4O6S4
Molecular Weight700.93 g/mol
Exact Mass700.15
IUPAC Name6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide
SMILESCOc1ccc(NC(=O)CCCCCN2C(=O)C(=C3SC(=S)N(CCCCCC(=O)Nc4ccc(OC)cc4)C3=O)SC2=S)cc1
InChIInChI=1S/C32H36N4O6S4/c1-41-23-15-11-21(12-16-23)33-25(37)9-5-3-7-19-35-29(39)27(45-31(35)43)28-30(40)36(32(44)46-28)20-8-4-6-10-26(38)34-22-13-17-24(42-2)18-14-22/h11-18H,3-10,19-20H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyFAIZJJXUDOOCPZ-UHFFFAOYSA-N
XLogP6.33
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.93
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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'}

Analyze 6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide with MolForge

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Related Compounds

3-[5-[3-[3-(4-methoxyanilino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 4575854
6-[(5E)-5-[3-[6-(4-methylanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)hexanamide
CID 6387740
N-(4-methoxyphenyl)-6-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide
CID 6203467
6-[(5E)-5-[3-[6-(4-acetylanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-acetylphenyl)hexanamide
CID 6201551
6-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)hexanamide
CID 4759055
N-(4-methoxyphenyl)-6-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide
CID 4758928
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
6-[5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide
CID 4759573
6-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide
CID 16630886
6-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-phenylphenyl)hexanamide
CID 4759097
N-(4-hydroxyphenyl)-4-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
CID 1356906
6-[5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-nitrophenyl)hexanamide
CID 4759094

Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide?
The IUPAC name of 6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide (CID 4756413) is 6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide.
What is the SMILES notation for 6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide?
The canonical SMILES for 6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide is COc1ccc(NC(=O)CCCCCN2C(=O)C(=C3SC(=S)N(CCCCCC(=O)Nc4ccc(OC)cc4)C3=O)SC2=S)cc1.
What is the InChIKey of 6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide?
The InChIKey is FAIZJJXUDOOCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O6S4/c1-41-23-15-11-21(12-16-23)33-25(37)9-5-3-7-19-35-29(39)27(45-31(35)43)28-30(40)36(32(44)46-28)20-8-4-6-10-26(38)34-22-13-17-24(42-2)18-14-22/h11-18H,3-10,19-20H2,1-2H3,(H,33,37)(H,34,38).
What are the key properties of 6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide?
6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide has a molecular weight of 700.93 g/mol, XLogP of 6.33, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[3-[6-(4-methoxyanilino)-6-oxohexyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)hexanamide is sourced from PubChem (CID 4756413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).