N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide

C14H11F3N2OS — CID 6382408

IUPACN-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
SMILESC/C(=N/NC(=O)c1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C14H11F3N2OS/c1-9(12-3-2-8-21-12)18-19-13(20)10-4-6-11(7-5-10)14(15,16)17/h2-8H,1H3,(H,19,20)/b18-9-
InChIKeyGMLKZGPXKXAOFM-NVMNQCDNSA-N
MW312.32 g/mol
LogP3.92
Rot. Bonds3

About N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide

N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide (PubChem CID 6382408) has the molecular formula C14H11F3N2OS and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
PubChem CID6382408
Molecular FormulaC14H11F3N2OS
Molecular Weight312.32 g/mol
Exact Mass312.05
IUPAC NameN-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
SMILESC/C(=N/NC(=O)c1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C14H11F3N2OS/c1-9(12-3-2-8-21-12)18-19-13(20)10-4-6-11(7-5-10)14(15,16)17/h2-8H,1H3,(H,19,20)/b18-9-
InChIKeyGMLKZGPXKXAOFM-NVMNQCDNSA-N
XLogP3.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 19659603
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
3,4,5-trihydroxy-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 6029877
3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 39354555
4-(phenylsulfanylmethyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 95180952
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
3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide
CID 5259004
N-[3-[N-[(4-tert-butylbenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 1000066
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126263054

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide (CID 6382408) is N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide is C/C(=N/NC(=O)c1ccc(C(F)(F)F)cc1)c1cccs1.
What is the InChIKey of N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide?
The InChIKey is GMLKZGPXKXAOFM-NVMNQCDNSA-N. The full InChI is InChI=1S/C14H11F3N2OS/c1-9(12-3-2-8-21-12)18-19-13(20)10-4-6-11(7-5-10)14(15,16)17/h2-8H,1H3,(H,19,20)/b18-9-.
What are the key properties of N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide?
N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide has a molecular weight of 312.32 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 6382408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).