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

C16H17F3N2O3S — CID 159190105

IUPAC3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
SMILESCOCCN(C)C(=O)C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O3S/c1-21(7-8-24-2)15(23)13-12(22)9-25-14(13)20-11-6-4-3-5-10(11)16(17,18)19/h3-6,22H,7-9H2,1-2H3/b20-14-
InChIKeyQDZNPDNAGPTXAR-ZHZULCJRSA-N
MW374.38 g/mol
LogP3.40
Rot. Bonds5

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

3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide (PubChem CID 159190105) has the molecular formula C16H17F3N2O3S and a molecular weight of 374.38 g/mol. Its IUPAC name is 3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
PubChem CID159190105
Molecular FormulaC16H17F3N2O3S
Molecular Weight374.38 g/mol
Exact Mass374.09
IUPAC Name3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
SMILESCOCCN(C)C(=O)C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F
InChIInChI=1S/C16H17F3N2O3S/c1-21(7-8-24-2)15(23)13-12(22)9-25-14(13)20-11-6-4-3-5-10(11)16(17,18)19/h3-6,22H,7-9H2,1-2H3/b20-14-
InChIKeyQDZNPDNAGPTXAR-ZHZULCJRSA-N
XLogP3.40
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-hydroxy-5-[4-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide;ethane
CID 145580529
3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 158002779
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone
CID 158152152
3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 158591151
2-azabicyclo[2.2.2]octan-2-yl-[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]methanone
CID 160325664
N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 160924154
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone
CID 161056523
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-pyrrolidin-1-ylmethanone
CID 162198807
6-Hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxo-5-[[2-(trifluoromethyl)phenyl]iminomethyl]pyridine-3-carbonitrile
CID 135668563

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide (CID 159190105) is 3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide is COCCN(C)C(=O)C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F.
What is the InChIKey of 3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
The InChIKey is QDZNPDNAGPTXAR-ZHZULCJRSA-N. The full InChI is InChI=1S/C16H17F3N2O3S/c1-21(7-8-24-2)15(23)13-12(22)9-25-14(13)20-11-6-4-3-5-10(11)16(17,18)19/h3-6,22H,7-9H2,1-2H3/b20-14-.
What are the key properties of 3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide has a molecular weight of 374.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide is sourced from PubChem (CID 159190105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).