N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide

C15H16N2OS — CID 929739

IUPACN-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCCc1ccc(C=NNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H16N2OS/c1-2-12-5-7-13(8-6-12)11-16-17-15(18)10-14-4-3-9-19-14/h3-9,11H,2,10H2,1H3,(H,17,18)
InChIKeyGDCVCVIIZNQOPR-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.00
Rot. Bonds5

About N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 929739) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID929739
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCCc1ccc(C=NNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H16N2OS/c1-2-12-5-7-13(8-6-12)11-16-17-15(18)10-14-4-3-9-19-14/h3-9,11H,2,10H2,1H3,(H,17,18)
InChIKeyGDCVCVIIZNQOPR-UHFFFAOYSA-N
XLogP3.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.00
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-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126211026
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148
N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368486
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135905133
N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126212286
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 6862500
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5425302
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 7516719

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide (CID 929739) is N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide is CCc1ccc(C=NNC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is GDCVCVIIZNQOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-12-5-7-13(8-6-12)11-16-17-15(18)10-14-4-3-9-19-14/h3-9,11H,2,10H2,1H3,(H,17,18).
What are the key properties of N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 272.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 929739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).