6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide

C18H24N2O2S2 — CID 17034201

IUPAC6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide
SMILESCCC1SC(=S)N(CCCCCC(=O)N(C)c2ccccc2)C1=O
InChIInChI=1S/C18H24N2O2S2/c1-3-15-17(22)20(18(23)24-15)13-9-5-8-12-16(21)19(2)14-10-6-4-7-11-14/h4,6-7,10-11,15H,3,5,8-9,12-13H2,1-2H3
InChIKeyAILHLIGLUQCIEY-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.85
Rot. Bonds8

About 6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide

6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide (PubChem CID 17034201) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide.

Molecular Properties

Compound Name6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide
PubChem CID17034201
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC Name6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide
SMILESCCC1SC(=S)N(CCCCCC(=O)N(C)c2ccccc2)C1=O
InChIInChI=1S/C18H24N2O2S2/c1-3-15-17(22)20(18(23)24-15)13-9-5-8-12-16(21)19(2)14-10-6-4-7-11-14/h4,6-7,10-11,15H,3,5,8-9,12-13H2,1-2H3
InChIKeyAILHLIGLUQCIEY-UHFFFAOYSA-N
XLogP3.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide?
The IUPAC name of 6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide (CID 17034201) is 6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide.
What is the SMILES notation for 6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide?
The canonical SMILES for 6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide is CCC1SC(=S)N(CCCCCC(=O)N(C)c2ccccc2)C1=O.
What is the InChIKey of 6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide?
The InChIKey is AILHLIGLUQCIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-3-15-17(22)20(18(23)24-15)13-9-5-8-12-16(21)19(2)14-10-6-4-7-11-14/h4,6-7,10-11,15H,3,5,8-9,12-13H2,1-2H3.
What are the key properties of 6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide?
6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide has a molecular weight of 364.54 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide is sourced from PubChem (CID 17034201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).