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

C19H26N2O2S2 — CID 17034026

IUPAC6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide
SMILESCC1SC(=S)N(CCCCCC(=O)Nc2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C19H26N2O2S2/c1-13(2)15-8-10-16(11-9-15)20-17(22)7-5-4-6-12-21-18(23)14(3)25-19(21)24/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,22)
InChIKeyKDNHBNXQKLIRIH-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.56
Rot. Bonds8

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

6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide (PubChem CID 17034026) has the molecular formula C19H26N2O2S2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide.

Molecular Properties

Compound Name6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide
PubChem CID17034026
Molecular FormulaC19H26N2O2S2
Molecular Weight378.56 g/mol
Exact Mass378.14
IUPAC Name6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide
SMILESCC1SC(=S)N(CCCCCC(=O)Nc2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C19H26N2O2S2/c1-13(2)15-8-10-16(11-9-15)20-17(22)7-5-4-6-12-21-18(23)14(3)25-19(21)24/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,22)
InChIKeyKDNHBNXQKLIRIH-UHFFFAOYSA-N
XLogP4.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.56
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'}

Analyze 6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 17033901
N-(3,5-dimethylphenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034031
methyl 4-[4-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoylamino]benzoate
CID 17033858
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
6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylhexanamide
CID 17034152
N-(2-ethylphenyl)-4-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamide
CID 17033824
N-(4-acetamidophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033488
4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-ethylphenyl)butanamide
CID 17033900
4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide
CID 17033891

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide?
The IUPAC name of 6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide (CID 17034026) is 6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide.
What is the SMILES notation for 6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide?
The canonical SMILES for 6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide is CC1SC(=S)N(CCCCCC(=O)Nc2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of 6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide?
The InChIKey is KDNHBNXQKLIRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S2/c1-13(2)15-8-10-16(11-9-15)20-17(22)7-5-4-6-12-21-18(23)14(3)25-19(21)24/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,22).
What are the key properties of 6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide?
6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide has a molecular weight of 378.56 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)hexanamide is sourced from PubChem (CID 17034026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).