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

C13H18F3NOS — CID 78884276

IUPACN-butyl-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCc1ccsc1
InChIInChI=1S/C13H18F3NOS/c1-2-3-7-17(10-13(14,15)16)12(18)5-4-11-6-8-19-9-11/h6,8-9H,2-5,7,10H2,1H3
InChIKeyQIOBEMMMWZTWPK-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.87
Rot. Bonds7

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

N-butyl-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78884276) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is N-butyl-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-butyl-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78884276
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC NameN-butyl-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCc1ccsc1
InChIInChI=1S/C13H18F3NOS/c1-2-3-7-17(10-13(14,15)16)12(18)5-4-11-6-8-19-9-11/h6,8-9H,2-5,7,10H2,1H3
InChIKeyQIOBEMMMWZTWPK-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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Related Compounds

1-(3-Thiophen-3-ylpropanoyl)piperidine-4-carboxamide
CID 9117696
Icosa-5,8,11,14-tetraenoic acid (2-thiophen-3-yl-ethyl)-amide
CID 11090957
N-cyclopropyl-N-(2-methoxyethyl)-3-thiophen-3-ylpropanamide
CID 45828613
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-thiophen-3-ylpropanamide
CID 72015453
1-Pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one
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N,N-dimethyl-2-(thiophen-3-yl)acetamide
CID 23273495
1-Piperidin-1-yl-3-thiophen-3-ylpropan-1-one
CID 39958563
(3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-3-ylpropanamide
CID 134959545
Cyclohex-3-en-1-yl(4-(thiophen-3-yl)piperidin-1-yl)methanone
CID 71787158
N-cyclopentyl-3-thiophen-3-ylpropanamide
CID 39952085
1-(4-Methyl-1,4-diazepan-1-yl)-3-thiophen-3-ylpropan-1-one
CID 39952100
1-(Azocan-1-yl)-3-thiophen-3-ylpropan-1-one
CID 39952105

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-butyl-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 78884276) is N-butyl-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-butyl-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-butyl-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide is CCCCN(CC(F)(F)F)C(=O)CCc1ccsc1.
What is the InChIKey of N-butyl-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QIOBEMMMWZTWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-2-3-7-17(10-13(14,15)16)12(18)5-4-11-6-8-19-9-11/h6,8-9H,2-5,7,10H2,1H3.
What are the key properties of N-butyl-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
N-butyl-3-thiophen-3-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-3-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78884276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).