N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide

C14H11F3N2OS — CID 143524395

IUPACN-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C14H11F3N2OS/c1-9(20)19-18-8-11-7-12(10-5-3-2-4-6-10)13(21-11)14(15,16)17/h2-8H,1H3,(H,19,20)/b18-8+
InChIKeyFUCSEPCQXZOALI-QGMBQPNBSA-N
MW312.32 g/mol
LogP3.90
Rot. Bonds3

About N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide

N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide (PubChem CID 143524395) has the molecular formula C14H11F3N2OS and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide
PubChem CID143524395
Molecular FormulaC14H11F3N2OS
Molecular Weight312.32 g/mol
Exact Mass312.05
IUPAC NameN-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C14H11F3N2OS/c1-9(20)19-18-8-11-7-12(10-5-3-2-4-6-10)13(21-11)14(15,16)17/h2-8H,1H3,(H,19,20)/b18-8+
InChIKeyFUCSEPCQXZOALI-QGMBQPNBSA-N
XLogP3.90
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 ≤ 53.90
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide?
The IUPAC name of N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide (CID 143524395) is N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide?
The canonical SMILES for N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide is CC(=O)N/N=C/c1cc(-c2ccccc2)c(C(F)(F)F)s1.
What is the InChIKey of N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide?
The InChIKey is FUCSEPCQXZOALI-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H11F3N2OS/c1-9(20)19-18-8-11-7-12(10-5-3-2-4-6-10)13(21-11)14(15,16)17/h2-8H,1H3,(H,19,20)/b18-8+.
What are the key properties of N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide?
N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide has a molecular weight of 312.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 143524395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).