N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide

C14H12F3NOS — CID 17475338

IUPACN-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1ccccc1C(F)(F)F)c1cccs1
InChIInChI=1S/C14H12F3NOS/c1-9(12-7-4-8-20-12)18-13(19)10-5-2-3-6-11(10)14(15,16)17/h2-9H,1H3,(H,18,19)
InChIKeyQIFNFGLRVJBOEC-UHFFFAOYSA-N
MW299.32 g/mol
LogP4.26
Rot. Bonds3

About N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide

N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide (PubChem CID 17475338) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
PubChem CID17475338
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC NameN-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1ccccc1C(F)(F)F)c1cccs1
InChIInChI=1S/C14H12F3NOS/c1-9(12-7-4-8-20-12)18-13(19)10-5-2-3-6-11(10)14(15,16)17/h2-9H,1H3,(H,18,19)
InChIKeyQIFNFGLRVJBOEC-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 55798665
2-methylsulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 112766143
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 46572832
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 51187726
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
(2R)-3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 30048340
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
3-hydroxy-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 16776421

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide (CID 17475338) is N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide is CC(NC(=O)c1ccccc1C(F)(F)F)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide?
The InChIKey is QIFNFGLRVJBOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c1-9(12-7-4-8-20-12)18-13(19)10-5-2-3-6-11(10)14(15,16)17/h2-9H,1H3,(H,18,19).
What are the key properties of N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide?
N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide has a molecular weight of 299.32 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 17475338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).