4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide

C15H17FN2O2S2 — CID 17033891

IUPAC4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide
SMILESCCC1SC(=S)N(CCCC(=O)Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C15H17FN2O2S2/c1-2-12-14(20)18(15(21)22-12)9-3-4-13(19)17-11-7-5-10(16)6-8-11/h5-8,12H,2-4,9H2,1H3,(H,17,19)
InChIKeyOQHJADCTHXTHQN-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.18
Rot. Bonds6

About 4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide

4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide (PubChem CID 17033891) has the molecular formula C15H17FN2O2S2 and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide
PubChem CID17033891
Molecular FormulaC15H17FN2O2S2
Molecular Weight340.45 g/mol
Exact Mass340.07
IUPAC Name4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide
SMILESCCC1SC(=S)N(CCCC(=O)Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C15H17FN2O2S2/c1-2-12-14(20)18(15(21)22-12)9-3-4-13(19)17-11-7-5-10(16)6-8-11/h5-8,12H,2-4,9H2,1H3,(H,17,19)
InChIKeyOQHJADCTHXTHQN-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-propan-2-ylphenyl)butanamide
CID 17033901
6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylhexanamide
CID 17034152
N-(4-fluorophenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034017
4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(2-fluorophenyl)butanamide
CID 17033894
butyl 4-[4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoylamino]benzoate
CID 17033939
N-(3,4-dimethylphenyl)-6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034159
6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(3-methoxyphenyl)hexanamide
CID 17034157
N-(3-chloro-4-methoxyphenyl)-4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamide
CID 17033950
N-(2,4-dimethylphenyl)-4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamide
CID 17033884
6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[2-(trifluoromethyl)phenyl]hexanamide
CID 17034207
N-(4-bromophenyl)-2-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033549

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide?
The IUPAC name of 4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide (CID 17033891) is 4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide.
What is the SMILES notation for 4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide?
The canonical SMILES for 4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide is CCC1SC(=S)N(CCCC(=O)Nc2ccc(F)cc2)C1=O.
What is the InChIKey of 4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide?
The InChIKey is OQHJADCTHXTHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S2/c1-2-12-14(20)18(15(21)22-12)9-3-4-13(19)17-11-7-5-10(16)6-8-11/h5-8,12H,2-4,9H2,1H3,(H,17,19).
What are the key properties of 4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide?
4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide has a molecular weight of 340.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)butanamide is sourced from PubChem (CID 17033891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).