4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide

C15H12F3NO2S — CID 78802755

IUPAC4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(F)c2F)s1
InChIInChI=1S/C15H12F3NO2S/c1-8-2-6-12(22-8)11(20)5-7-13(21)19-10-4-3-9(16)14(17)15(10)18/h2-4,6H,5,7H2,1H3,(H,19,21)
InChIKeyBMPIOGXVEMPENZ-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.08
Rot. Bonds5

About 4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide

4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide (PubChem CID 78802755) has the molecular formula C15H12F3NO2S and a molecular weight of 327.33 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide
PubChem CID78802755
Molecular FormulaC15H12F3NO2S
Molecular Weight327.33 g/mol
Exact Mass327.05
IUPAC Name4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(F)c2F)s1
InChIInChI=1S/C15H12F3NO2S/c1-8-2-6-12(22-8)11(20)5-7-13(21)19-10-4-3-9(16)14(17)15(10)18/h2-4,6H,5,7H2,1H3,(H,19,21)
InChIKeyBMPIOGXVEMPENZ-UHFFFAOYSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 2379110
N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39754436
N-(4-bromo-2-methylphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 46600478
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 55315455
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-methylthiophene-2-carboxylate
CID 7837917
4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 78878756
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide
CID 33251204
N-(3-chloro-2-methylphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 39889391
N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18106816
ethyl 4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]benzoate
CID 30270993
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide
CID 39759961
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide
CID 30235975

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide (CID 78802755) is 4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(F)c2F)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide?
The InChIKey is BMPIOGXVEMPENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2S/c1-8-2-6-12(22-8)11(20)5-7-13(21)19-10-4-3-9(16)14(17)15(10)18/h2-4,6H,5,7H2,1H3,(H,19,21).
What are the key properties of 4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide?
4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide has a molecular weight of 327.33 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide is sourced from PubChem (CID 78802755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).