N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide

C16H16F3NO2S — CID 56783592

IUPACN-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO2S/c17-16(18,19)12-4-1-3-11(9-12)14(21)10-20-15(22)7-6-13-5-2-8-23-13/h1-5,8-9,14,21H,6-7,10H2,(H,20,22)
InChIKeyPAEOKCADJZYMBS-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.55
Rot. Bonds6

About N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide

N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 56783592) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide
PubChem CID56783592
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC NameN-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO2S/c17-16(18,19)12-4-1-3-11(9-12)14(21)10-20-15(22)7-6-13-5-2-8-23-13/h1-5,8-9,14,21H,6-7,10H2,(H,20,22)
InChIKeyPAEOKCADJZYMBS-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide (CID 56783592) is N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is PAEOKCADJZYMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c17-16(18,19)12-4-1-3-11(9-12)14(21)10-20-15(22)7-6-13-5-2-8-23-13/h1-5,8-9,14,21H,6-7,10H2,(H,20,22).
What are the key properties of N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide?
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 343.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 56783592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).