N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide

C15H12F3N3O2S — CID 19659603

IUPACN'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C15H12F3N3O2S/c1-9(12-3-2-8-24-12)20-21-14(23)13(22)19-11-6-4-10(5-7-11)15(16,17)18/h2-8H,1H3,(H,19,22)(H,21,23)/b20-9+
InChIKeyDKUBLOFUWNYSBL-AWQFTUOYSA-N
MW355.34 g/mol
LogP3.25
Rot. Bonds3

About N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide

N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 19659603) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID19659603
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC NameN'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C15H12F3N3O2S/c1-9(12-3-2-8-24-12)20-21-14(23)13(22)19-11-6-4-10(5-7-11)15(16,17)18/h2-8H,1H3,(H,19,22)(H,21,23)/b20-9+
InChIKeyDKUBLOFUWNYSBL-AWQFTUOYSA-N
XLogP3.25
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
CID 6382408
N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 4050044
N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide
CID 19660564
N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide
CID 9352223
[4-[(E)-N-[[2-(4-acetamidoanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] thiophene-2-carboxylate
CID 19658750
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126263054
[4-[(E)-C-methyl-N-[[2-oxo-2-[4-(trifluoromethyl)anilino]acetyl]amino]carbonimidoyl]phenyl] 4-methoxybenzoate
CID 19658629
3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide
CID 3329054
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropanecarboxamide
CID 6340204
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide (CID 19659603) is N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide is C/C(=N\NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1cccs1.
What is the InChIKey of N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is DKUBLOFUWNYSBL-AWQFTUOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c1-9(12-3-2-8-24-12)20-21-14(23)13(22)19-11-6-4-10(5-7-11)15(16,17)18/h2-8H,1H3,(H,19,22)(H,21,23)/b20-9+.
What are the key properties of N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide?
N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 355.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 19659603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).