N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide

C17H17F3N2O3S — CID 46539957

IUPACN-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O3S/c1-10(2)14(22-15(23)13-7-4-8-26-13)16(24)21-11-5-3-6-12(9-11)25-17(18,19)20/h3-10,14H,1-2H3,(H,21,24)(H,22,23)
InChIKeyFJNZSZIVHIVFQJ-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.04
Rot. Bonds6

About N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide

N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide (PubChem CID 46539957) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide
PubChem CID46539957
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O3S/c1-10(2)14(22-15(23)13-7-4-8-26-13)16(24)21-11-5-3-6-12(9-11)25-17(18,19)20/h3-10,14H,1-2H3,(H,21,24)(H,22,23)
InChIKeyFJNZSZIVHIVFQJ-UHFFFAOYSA-N
XLogP4.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42949315
3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55824930
N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51194882
N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 42929714
N-[1-(3,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195196
N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46669254
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8999260
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8999258
N-[1-(3-bromo-4-methylanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55555316
N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 2934696
N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide
CID 55550380
N-[1-(2,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195159

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide (CID 46539957) is N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide?
The InChIKey is FJNZSZIVHIVFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-10(2)14(22-15(23)13-7-4-8-26-13)16(24)21-11-5-3-6-12(9-11)25-17(18,19)20/h3-10,14H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide?
N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46539957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).