3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide

C19H15F3N2O2S — CID 158591151

IUPAC3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
SMILESCN(C(=O)C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H15F3N2O2S/c1-24(12-7-3-2-4-8-12)18(26)16-15(25)11-27-17(16)23-14-10-6-5-9-13(14)19(20,21)22/h2-10,25H,11H2,1H3/b23-17-
InChIKeyGKQLRUACBAQRMQ-QJOMJCCJSA-N
MW392.40 g/mol
LogP4.96
Rot. Bonds3

About 3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide

3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide (PubChem CID 158591151) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
PubChem CID158591151
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC Name3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
SMILESCN(C(=O)C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H15F3N2O2S/c1-24(12-7-3-2-4-8-12)18(26)16-15(25)11-27-17(16)23-14-10-6-5-9-13(14)19(20,21)22/h2-10,25H,11H2,1H3/b23-17-
InChIKeyGKQLRUACBAQRMQ-QJOMJCCJSA-N
XLogP4.96
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-Difluorophenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one
CID 7386641
2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7386667
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 15996858
1-(3-Fluorophenyl)-3-{[(2-fluorophenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one
CID 20941792
1-(3-Fluorophenyl)-3-{[(3-fluorophenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one
CID 20941793
1-(3-Fluorophenyl)-3-{[(4-fluorophenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one
CID 20941805
1-(4-Fluorophenyl)-3-{[(2-fluorophenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one
CID 20941825
1-(4-Fluorophenyl)-3-{[(3-fluorophenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one
CID 20941826
1-(4-Fluorophenyl)-3-{[(4-fluorophenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one
CID 20941835
2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126458207
N-[2-[[5,5-dimethyl-2-[[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]methylsulfanyl]imidazol-4-yl]sulfanylmethyl]phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 54567959
3-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 68409241

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
The IUPAC name of 3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide (CID 158591151) is 3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide is CN(C(=O)C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
The InChIKey is GKQLRUACBAQRMQ-QJOMJCCJSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c1-24(12-7-3-2-4-8-12)18(26)16-15(25)11-27-17(16)23-14-10-6-5-9-13(14)19(20,21)22/h2-10,25H,11H2,1H3/b23-17-.
What are the key properties of 3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide has a molecular weight of 392.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide is sourced from PubChem (CID 158591151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).