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

C14H12F3NOS — CID 78781844

IUPAC4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
SMILESO=C(CCCc1cccs1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H12F3NOS/c15-10-6-7-11(14(17)13(10)16)18-12(19)5-1-3-9-4-2-8-20-9/h2,4,6-8H,1,3,5H2,(H,18,19)
InChIKeyYGPUYSCDIFAWNW-UHFFFAOYSA-N
MW299.32 g/mol
LogP4.13
Rot. Bonds5

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

4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide (PubChem CID 78781844) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is 4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide.

Molecular Properties

Compound Name4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
PubChem CID78781844
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
SMILESO=C(CCCc1cccs1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H12F3NOS/c15-10-6-7-11(14(17)13(10)16)18-12(19)5-1-3-9-4-2-8-20-9/h2,4,6-8H,1,3,5H2,(H,18,19)
InChIKeyYGPUYSCDIFAWNW-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide
CID 103753352
1-(thiophen-2-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47173526
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
5-bromo-N-(2,3,4-trifluorophenyl)pentanamide
CID 103601724
N-[2-(difluoromethoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 78770266
N-(4-ethynyl-2,6-difluorophenyl)-4-thiophen-2-ylbutanamide
CID 71908608
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8718481
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide
CID 82707214
N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide
CID 167851976
3-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 110428723

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide?
The IUPAC name of 4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide (CID 78781844) is 4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide.
What is the SMILES notation for 4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide?
The canonical SMILES for 4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide is O=C(CCCc1cccs1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide?
The InChIKey is YGPUYSCDIFAWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c15-10-6-7-11(14(17)13(10)16)18-12(19)5-1-3-9-4-2-8-20-9/h2,4,6-8H,1,3,5H2,(H,18,19).
What are the key properties of 4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide?
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide has a molecular weight of 299.32 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide is sourced from PubChem (CID 78781844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).