5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide

C17H17F3N2OS — CID 19584864

IUPAC5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide
SMILESO=C(CCCCc1cccs1)N/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2OS/c18-17(19,20)14-6-3-5-13(11-14)12-21-22-16(23)9-2-1-7-15-8-4-10-24-15/h3-6,8,10-12H,1-2,7,9H2,(H,22,23)/b21-12+
InChIKeyWQHZUFUCVOASML-CIAFOILYSA-N
MW354.40 g/mol
LogP4.63
Rot. Bonds7

About 5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide

5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide (PubChem CID 19584864) has the molecular formula C17H17F3N2OS and a molecular weight of 354.40 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide
PubChem CID19584864
Molecular FormulaC17H17F3N2OS
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC Name5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide
SMILESO=C(CCCCc1cccs1)N/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2OS/c18-17(19,20)14-6-3-5-13(11-14)12-21-22-16(23)9-2-1-7-15-8-4-10-24-15/h3-6,8,10-12H,1-2,7,9H2,(H,22,23)/b21-12+
InChIKeyWQHZUFUCVOASML-CIAFOILYSA-N
XLogP4.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 6879499
N'-[(E)-(4-bromothiophen-2-yl)methylidene]-2-phenylacetohydrazide
CID 9668509
N'-(2-Methyl-3-phenyl-2-propenylidene)-2-(2-thienyl)acetohydrazide
CID 6893910
(E)-N'-((Z)-2-chloro-3-phenylallylidene)-2-(thiophen-2-yl)acetohydrazide
CID 6862490
N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide
CID 6878559
2-phenyl-N'-[1-(2-thienyl)ethylidene]cyclopropanecarbohydrazide
CID 5720833
6-(4-Fluorophenyl)-4-methyl-N'-[(E)-(thiophen-2-YL)methylidene]cyclohex-3-ene-1-carbohydrazide
CID 6139513
2-(1-naphthyl)-N'-(2-thienylmethylene)acetohydrazide
CID 6896157
(1S,2S)-2-phenyl-N'-[(1E)-thien-2-ylmethylene]cyclopropanecarbohydrazide
CID 9599677
N'-hydroxy-N-[(E)-(4-thiophen-2-ylphenyl)methylideneamino]heptanediamide
CID 73707545
N'-(3-Phenyl-2-propenylidene)-2-(2-thienyl)acetohydrazide
CID 6880429
N'-[(1Z)-1-(4-fluorophenyl)ethylidene]-2-(thiophen-2-yl)acetohydrazide
CID 7460607

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide?
The IUPAC name of 5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide (CID 19584864) is 5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide.
What is the SMILES notation for 5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide?
The canonical SMILES for 5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide is O=C(CCCCc1cccs1)N/N=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide?
The InChIKey is WQHZUFUCVOASML-CIAFOILYSA-N. The full InChI is InChI=1S/C17H17F3N2OS/c18-17(19,20)14-6-3-5-13(11-14)12-21-22-16(23)9-2-1-7-15-8-4-10-24-15/h3-6,8,10-12H,1-2,7,9H2,(H,22,23)/b21-12+.
What are the key properties of 5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide?
5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide has a molecular weight of 354.40 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]pentanamide is sourced from PubChem (CID 19584864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).