N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide

C14H10F3N3O2S — CID 2244375

IUPACN'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NN=Cc1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)9-3-1-4-10(7-9)19-12(21)13(22)20-18-8-11-5-2-6-23-11/h1-8H,(H,19,21)(H,20,22)
InChIKeyXDLUYIYGSDXMIT-UHFFFAOYSA-N
MW341.31 g/mol
LogP2.86
Rot. Bonds3

About N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide

N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 2244375) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID2244375
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC NameN'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NN=Cc1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)9-3-1-4-10(7-9)19-12(21)13(22)20-18-8-11-5-2-6-23-11/h1-8H,(H,19,21)(H,20,22)
InChIKeyXDLUYIYGSDXMIT-UHFFFAOYSA-N
XLogP2.86
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 52.86
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'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 4050044
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 7738333
N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 137129490
N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 4048886
N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3859686
N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide
CID 997452
methyl 4-[[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]acetyl]amino]benzoate
CID 133240887
N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3639139
N-[2-[(3-methylphenyl)carbamoyl]phenyl]-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 6022812
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 5373375
N'-[(Z)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 94836996

Frequently Asked Questions

What is the IUPAC name of N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide (CID 2244375) is N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide is O=C(NN=Cc1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is XDLUYIYGSDXMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c15-14(16,17)9-3-1-4-10(7-9)19-12(21)13(22)20-18-8-11-5-2-6-23-11/h1-8H,(H,19,21)(H,20,22).
What are the key properties of N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide?
N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 341.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 2244375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).