N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide

C14H12F3NO3S — CID 111441258

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCC(O)c1ccsc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO3S/c15-14(16,17)21-11-3-1-9(2-4-11)13(20)18-7-12(19)10-5-6-22-8-10/h1-6,8,12,19H,7H2,(H,18,20)
InChIKeyGGFBAPPDGFSYGT-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.11
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide (PubChem CID 111441258) has the molecular formula C14H12F3NO3S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
PubChem CID111441258
Molecular FormulaC14H12F3NO3S
Molecular Weight331.32 g/mol
Exact Mass331.05
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCC(O)c1ccsc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO3S/c15-14(16,17)21-11-3-1-9(2-4-11)13(20)18-7-12(19)10-5-6-22-8-10/h1-6,8,12,19H,7H2,(H,18,20)
InChIKeyGGFBAPPDGFSYGT-UHFFFAOYSA-N
XLogP3.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide
CID 99981283
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493
methyl 4-[[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]carbamoyl]benzoate
CID 99981118
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol
CID 103685294
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide
CID 106436177
4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496546
3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 103686182
N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 99853223

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide (CID 111441258) is N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide is O=C(NCC(O)c1ccsc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is GGFBAPPDGFSYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3S/c15-14(16,17)21-11-3-1-9(2-4-11)13(20)18-7-12(19)10-5-6-22-8-10/h1-6,8,12,19H,7H2,(H,18,20).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 331.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 111441258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).