N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide

C14H12F3NO2S — CID 56764199

IUPACN-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccsc1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)13(20,11-4-2-1-3-5-11)9-18-12(19)10-6-7-21-8-10/h1-8,20H,9H2,(H,18,19)
InChIKeyYGOUEMNCTIBISR-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.93
Rot. Bonds4

About N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide

N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide (PubChem CID 56764199) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide
PubChem CID56764199
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC NameN-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccsc1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)13(20,11-4-2-1-3-5-11)9-18-12(19)10-6-7-21-8-10/h1-8,20H,9H2,(H,18,19)
InChIKeyYGOUEMNCTIBISR-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
4-[2-[(3-Methylthiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 43233742
N-[2-hydroxy-2-(thiophen-3-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52992625
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-2-carboxamide
CID 52992675
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676
2-(methylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764210
N1-(thiophen-2-ylmethyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764241
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-4-methylthiophene-2-carboxamide
CID 56765427
2-fluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683851
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 71781687
2-(thiophen-2-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781968
2-(Thiophene-2-carbonylamino)-2-[2-(4,4,4-trifluorobutyl)phenyl]acetic acid
CID 155933874

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide (CID 56764199) is N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide is O=C(NCC(O)(c1ccccc1)C(F)(F)F)c1ccsc1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide?
The InChIKey is YGOUEMNCTIBISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c15-14(16,17)13(20,11-4-2-1-3-5-11)9-18-12(19)10-6-7-21-8-10/h1-8,20H,9H2,(H,18,19).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide?
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 56764199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).