N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide

C13H18F3NOS — CID 78869021

IUPACN-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCc1cccs1
InChIInChI=1S/C13H18F3NOS/c1-2-3-8-17(10-13(14,15)16)12(18)7-6-11-5-4-9-19-11/h4-5,9H,2-3,6-8,10H2,1H3
InChIKeyGXQUEICWWBMGTQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.87
Rot. Bonds7

About N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide

N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78869021) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78869021
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC NameN-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCc1cccs1
InChIInChI=1S/C13H18F3NOS/c1-2-3-8-17(10-13(14,15)16)12(18)7-6-11-5-4-9-19-11/h4-5,9H,2-3,6-8,10H2,1H3
InChIKeyGXQUEICWWBMGTQ-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 78869021) is N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide is CCCCN(CC(F)(F)F)C(=O)CCc1cccs1.
What is the InChIKey of N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is GXQUEICWWBMGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-2-3-8-17(10-13(14,15)16)12(18)7-6-11-5-4-9-19-11/h4-5,9H,2-3,6-8,10H2,1H3.
What are the key properties of N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 293.35 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78869021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).