N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide

C14H12F3NOS — CID 8916592

IUPACN-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3NOS/c15-14(16,17)11-4-1-3-10(9-11)13(19)18-7-6-12-5-2-8-20-12/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyJLVORAFFAGWVMV-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.74
Rot. Bonds4

About N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide

N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide (PubChem CID 8916592) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide
PubChem CID8916592
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC NameN-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3NOS/c15-14(16,17)11-4-1-3-10(9-11)13(19)18-7-6-12-5-2-8-20-12/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyJLVORAFFAGWVMV-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid
CID 5289378
Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3c
CID 25023797
Thiophene derivative, 3e
CID 25023798
N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023800
2,2,2-trifluoro-1-[5-({[(1R)-1-phenylethyl]amino}methyl)thiophen-2-yl]ethan-1-one
CID 25023812
N-benzyl-N-methyl-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023816
N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
CID 163183439
Acetamide, N-(3-trifluoromethylbenzyl)-2-(2-thienyl)-
CID 566340
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide (CID 8916592) is N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide is O=C(NCCc1cccs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is JLVORAFFAGWVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c15-14(16,17)11-4-1-3-10(9-11)13(19)18-7-6-12-5-2-8-20-12/h1-5,8-9H,6-7H2,(H,18,19).
What are the key properties of N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide?
N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 299.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 8916592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).