N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide

C18H14F3NO3S — CID 119101191

IUPACN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)(c1ccoc1)c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3NO3S/c19-18(20,21)14-5-2-1-4-13(14)16(23)22-11-17(24,12-7-8-25-10-12)15-6-3-9-26-15/h1-10,24H,11H2,(H,22,23)
InChIKeyQLRVMOPKEVWRNE-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.03
Rot. Bonds5

About N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide

N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide (PubChem CID 119101191) has the molecular formula C18H14F3NO3S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
PubChem CID119101191
Molecular FormulaC18H14F3NO3S
Molecular Weight381.38 g/mol
Exact Mass381.06
IUPAC NameN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)(c1ccoc1)c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3NO3S/c19-18(20,21)14-5-2-1-4-13(14)16(23)22-11-17(24,12-7-8-25-10-12)15-6-3-9-26-15/h1-10,24H,11H2,(H,22,23)
InChIKeyQLRVMOPKEVWRNE-UHFFFAOYSA-N
XLogP4.03
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide (CID 119101191) is N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide is O=C(NCC(O)(c1ccoc1)c1cccs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is QLRVMOPKEVWRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3S/c19-18(20,21)14-5-2-1-4-13(14)16(23)22-11-17(24,12-7-8-25-10-12)15-6-3-9-26-15/h1-10,24H,11H2,(H,22,23).
What are the key properties of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide?
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 381.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 119101191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).