N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide

C16H17N3O2S — CID 7516727

IUPACN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(=O)Cc2cccs2)c1
InChIInChI=1S/C16H17N3O2S/c1-11(13-5-3-6-14(9-13)17-12(2)20)18-19-16(21)10-15-7-4-8-22-15/h3-9H,10H2,1-2H3,(H,17,20)(H,19,21)/b18-11-
InChIKeyDJVANDFQGJGBEE-WQRHYEAKSA-N
MW315.40 g/mol
LogP2.79
Rot. Bonds5

About N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 7516727) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
PubChem CID7516727
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(=O)Cc2cccs2)c1
InChIInChI=1S/C16H17N3O2S/c1-11(13-5-3-6-14(9-13)17-12(2)20)18-19-16(21)10-15-7-4-8-22-15/h3-9H,10H2,1-2H3,(H,17,20)(H,19,21)/b18-11-
InChIKeyDJVANDFQGJGBEE-WQRHYEAKSA-N
XLogP2.79
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425293
N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
CID 5393099
3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108541843
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-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7462993
N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
CID 6020603
N-(3-benzoylphenyl)-2-thiophen-2-ylacetamide
CID 762458
3-acetamido-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 17409595
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882425
3-[[3-[(2-thiophen-2-ylacetyl)amino]benzoyl]amino]benzoic acid
CID 1026629
(3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 6298048

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide (CID 7516727) is N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide is CC(=O)Nc1cccc(/C(C)=N\NC(=O)Cc2cccs2)c1.
What is the InChIKey of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is DJVANDFQGJGBEE-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11(13-5-3-6-14(9-13)17-12(2)20)18-19-16(21)10-15-7-4-8-22-15/h3-9H,10H2,1-2H3,(H,17,20)(H,19,21)/b18-11-.
What are the key properties of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 315.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 7516727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).