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

C14H10F3NO2S — CID 2379110

IUPAC4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3NO2S/c15-8-3-4-9(14(17)13(8)16)18-12(20)6-5-10(19)11-2-1-7-21-11/h1-4,7H,5-6H2,(H,18,20)
InChIKeyBNISIGCXVQFRJB-UHFFFAOYSA-N
MW313.30 g/mol
LogP3.77
Rot. Bonds5

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

4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide (PubChem CID 2379110) has the molecular formula C14H10F3NO2S and a molecular weight of 313.30 g/mol. Its IUPAC name is 4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide.

Molecular Properties

Compound Name4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
PubChem CID2379110
Molecular FormulaC14H10F3NO2S
Molecular Weight313.30 g/mol
Exact Mass313.04
IUPAC Name4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3NO2S/c15-8-3-4-9(14(17)13(8)16)18-12(20)6-5-10(19)11-2-1-7-21-11/h1-4,7H,5-6H2,(H,18,20)
InChIKeyBNISIGCXVQFRJB-UHFFFAOYSA-N
XLogP3.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.77
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-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide
CID 78802755
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9455258
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 23249669
N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]butan-2-yl]thiophene-2-carboxamide
CID 46563615
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 110428723
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide
CID 112990152
N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 47090311
1-(thiophen-2-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47173526
N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499621

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide?
The IUPAC name of 4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide (CID 2379110) is 4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide.
What is the SMILES notation for 4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide?
The canonical SMILES for 4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide is O=C(CCC(=O)c1cccs1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide?
The InChIKey is BNISIGCXVQFRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2S/c15-8-3-4-9(14(17)13(8)16)18-12(20)6-5-10(19)11-2-1-7-21-11/h1-4,7H,5-6H2,(H,18,20).
What are the key properties of 4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide?
4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide has a molecular weight of 313.30 g/mol, XLogP of 3.77, 5 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-(2,3,4-trifluorophenyl)butanamide is sourced from PubChem (CID 2379110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).