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

C18H24N2O2S2 — CID 17034031

IUPACN-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
SMILESCc1cc(C)cc(NC(=O)CCCCCN2C(=O)C(C)SC2=S)c1
InChIInChI=1S/C18H24N2O2S2/c1-12-9-13(2)11-15(10-12)19-16(21)7-5-4-6-8-20-17(22)14(3)24-18(20)23/h9-11,14H,4-8H2,1-3H3,(H,19,21)
InChIKeyVOPZOAJECIPECL-UHFFFAOYSA-N
MW364.54 g/mol
LogP4.05
Rot. Bonds7

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

N-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide (PubChem CID 17034031) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
PubChem CID17034031
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC NameN-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
SMILESCc1cc(C)cc(NC(=O)CCCCCN2C(=O)C(C)SC2=S)c1
InChIInChI=1S/C18H24N2O2S2/c1-12-9-13(2)11-15(10-12)19-16(21)7-5-4-6-8-20-17(22)14(3)24-18(20)23/h9-11,14H,4-8H2,1-3H3,(H,19,21)
InChIKeyVOPZOAJECIPECL-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
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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Related Compounds

N-(4-fluorophenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034017
N-(4-ethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034025
6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide
CID 17034026
N-(2,6-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034058
6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(2-methylphenyl)hexanamide
CID 17034004
methyl 4-[4-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoylamino]benzoate
CID 17033858
N-(3,4-dimethylphenyl)-6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034159
N-(2-ethylphenyl)-4-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamide
CID 17033824
N-cyclohexyl-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034044
6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylhexanamide
CID 17034152
4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,5-dimethylphenyl)butanamide
CID 8817000
3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(2-methylphenyl)propanamide
CID 17033706

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide (CID 17034031) is N-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide is Cc1cc(C)cc(NC(=O)CCCCCN2C(=O)C(C)SC2=S)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide?
The InChIKey is VOPZOAJECIPECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c1-12-9-13(2)11-15(10-12)19-16(21)7-5-4-6-8-20-17(22)14(3)24-18(20)23/h9-11,14H,4-8H2,1-3H3,(H,19,21).
What are the key properties of N-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide?
N-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide has a molecular weight of 364.54 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide is sourced from PubChem (CID 17034031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).