N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide

C15H14F3NO2S — CID 51094275

IUPACN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO2S/c1-9-6-7-22-13(9)14(21)19-8-12(20)10-4-2-3-5-11(10)15(16,17)18/h2-7,12,20H,8H2,1H3,(H,19,21)
InChIKeyDNRUHJJPNAKRCL-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.54
Rot. Bonds4

About N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide

N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide (PubChem CID 51094275) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide
PubChem CID51094275
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO2S/c1-9-6-7-22-13(9)14(21)19-8-12(20)10-4-2-3-5-11(10)15(16,17)18/h2-7,12,20H,8H2,1H3,(H,19,21)
InChIKeyDNRUHJJPNAKRCL-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 111119709
4-ethyl-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide
CID 94800227
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97136781
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51094257
N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 63120577
3,5-dichloro-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 52769347
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111119324
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95266924
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 95377454
2,4-difluoro-N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]benzamide
CID 94800676

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide (CID 51094275) is N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is DNRUHJJPNAKRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-9-6-7-22-13(9)14(21)19-8-12(20)10-4-2-3-5-11(10)15(16,17)18/h2-7,12,20H,8H2,1H3,(H,19,21).
What are the key properties of N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide?
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 51094275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).