N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide

C20H18N2OS — CID 7462993

IUPACN-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
SMILESC/C(=N\NC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2OS/c1-15(21-22-20(23)14-19-8-5-13-24-19)16-9-11-18(12-10-16)17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,22,23)/b21-15+
InChIKeyBNGQSZNVQIYEGK-RCCKNPSSSA-N
MW334.44 g/mol
LogP4.50
Rot. Bonds5

About N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide

N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 7462993) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
PubChem CID7462993
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC NameN-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
SMILESC/C(=N\NC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2OS/c1-15(21-22-20(23)14-19-8-5-13-24-19)16-9-11-18(12-10-16)17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,22,23)/b21-15+
InChIKeyBNGQSZNVQIYEGK-RCCKNPSSSA-N
XLogP4.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.50
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-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
CID 5393099
N-(1-naphthalen-2-ylethylideneamino)-2-thiophen-2-ylacetamide
CID 951064
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425405
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425293
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7516727
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide
CID 135603281
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
(3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 6298048
(3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 7269525
N-[1-(4-phenylphenyl)ethylideneamino]hexanamide
CID 3111304
4-nitro-N-[(E)-1-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 171487053
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-phenylacetamide
CID 6343025

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide (CID 7462993) is N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide is C/C(=N\NC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is BNGQSZNVQIYEGK-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-15(21-22-20(23)14-19-8-5-13-24-19)16-9-11-18(12-10-16)17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,22,23)/b21-15+.
What are the key properties of N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 334.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 7462993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).