4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide

C17H16F3NO2S — CID 26594248

IUPAC4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESO=C(CCC(=O)c1cccs1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2S/c18-17(19,20)13-5-3-12(4-6-13)9-10-21-16(23)8-7-14(22)15-2-1-11-24-15/h1-6,11H,7-10H2,(H,21,23)
InChIKeyFCKKPMXOVMXGNC-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.09
Rot. Bonds7

About 4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide

4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide (PubChem CID 26594248) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is 4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
PubChem CID26594248
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC Name4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESO=C(CCC(=O)c1cccs1)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2S/c18-17(19,20)13-5-3-12(4-6-13)9-10-21-16(23)8-7-14(22)15-2-1-11-24-15/h1-6,11H,7-10H2,(H,21,23)
InChIKeyFCKKPMXOVMXGNC-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methylthiophen-2-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 31146992
4-oxo-4-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 18168670
4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 26594245
N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17431209
N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796400
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
N-[3-[[2-(3,4-difluorophenyl)acetyl]amino]propyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 167750645
methyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]butanoate
CID 108807722
N-[(3-fluoro-4-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 34314674
2-hydroxy-3-[2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]ethyl]benzoic acid
CID 91554363
[2-oxo-2-[2-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]ethylamino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 16540287

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The IUPAC name of 4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide (CID 26594248) is 4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide is O=C(CCC(=O)c1cccs1)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The InChIKey is FCKKPMXOVMXGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c18-17(19,20)13-5-3-12(4-6-13)9-10-21-16(23)8-7-14(22)15-2-1-11-24-15/h1-6,11H,7-10H2,(H,21,23).
What are the key properties of 4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide has a molecular weight of 355.38 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 26594248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).