N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide

C15H13F3N2O3S — CID 42929714

IUPACN-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3S/c1-9(19-14(22)12-3-2-8-24-12)13(21)20-10-4-6-11(7-5-10)23-15(16,17)18/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyFWYPLTDMBXERCX-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.40
Rot. Bonds5

About N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 42929714) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
PubChem CID42929714
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3S/c1-9(19-14(22)12-3-2-8-24-12)13(21)20-10-4-6-11(7-5-10)23-15(16,17)18/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyFWYPLTDMBXERCX-UHFFFAOYSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55833327
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682677
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298996
N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide
CID 46539957
N-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756495
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815244
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
N-[1-(3-ethylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299044
N-[(2R)-1-(1,3-benzothiazol-5-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94797229

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide (CID 42929714) is N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is FWYPLTDMBXERCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-9(19-14(22)12-3-2-8-24-12)13(21)20-10-4-6-11(7-5-10)23-15(16,17)18/h2-9H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 358.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42929714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).