(E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide

C16H14F3NO2S — CID 90534684

IUPAC(E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO2S/c17-16(18,19)12-5-3-11(4-6-12)14(21)10-20-15(22)8-7-13-2-1-9-23-13/h1-9,14,21H,10H2,(H,20,22)/b8-7+
InChIKeyCQMSGODYURGSDG-BQYQJAHWSA-N
MW341.35 g/mol
LogP3.63
Rot. Bonds5

About (E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 90534684) has the molecular formula C16H14F3NO2S and a molecular weight of 341.35 g/mol. Its IUPAC name is (E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID90534684
Molecular FormulaC16H14F3NO2S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name(E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO2S/c17-16(18,19)12-5-3-11(4-6-12)14(21)10-20-15(22)8-7-13-2-1-9-23-13/h1-9,14,21H,10H2,(H,20,22)/b8-7+
InChIKeyCQMSGODYURGSDG-BQYQJAHWSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 171136775
1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95368354
methyl 2-hydroxy-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoate
CID 103957996
N-(2-amino-3-methylbutyl)-3-thiophen-2-ylprop-2-enamide
CID 77021858
N-(3-hydroxy-4,4-dimethylpentyl)-3-thiophen-2-ylprop-2-enamide
CID 71960773
(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 887285
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid
CID 24708663
(E)-N-[(2S)-2-hydroxy-2-phenylpropyl]-3-thiophen-2-ylprop-2-enamide
CID 95367977
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
2,2-dimethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoic acid
CID 81370089
1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 56765522

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide (CID 90534684) is (E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is CQMSGODYURGSDG-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H14F3NO2S/c17-16(18,19)12-5-3-11(4-6-12)14(21)10-20-15(22)8-7-13-2-1-9-23-13/h1-9,14,21H,10H2,(H,20,22)/b8-7+.
What are the key properties of (E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 341.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 90534684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).