(3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide

C18H20N4O3S — CID 6298048

IUPAC(3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
SMILESCC(=O)Nc1ccccc1NC(=O)C/C(C)=N\NC(=O)Cc1cccs1
InChIInChI=1S/C18H20N4O3S/c1-12(21-22-18(25)11-14-6-5-9-26-14)10-17(24)20-16-8-4-3-7-15(16)19-13(2)23/h3-9H,10-11H2,1-2H3,(H,19,23)(H,20,24)(H,22,25)/b21-12-
InChIKeyKROOYQLFJHYMJI-MTJSOVHGSA-N
MW372.45 g/mol
LogP2.77
Rot. Bonds7

About (3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide

(3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide (PubChem CID 6298048) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is (3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
PubChem CID6298048
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name(3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
SMILESCC(=O)Nc1ccccc1NC(=O)C/C(C)=N\NC(=O)Cc1cccs1
InChIInChI=1S/C18H20N4O3S/c1-12(21-22-18(25)11-14-6-5-9-26-14)10-17(24)20-16-8-4-3-7-15(16)19-13(2)23/h3-9H,10-11H2,1-2H3,(H,19,23)(H,20,24)(H,22,25)/b21-12-
InChIKeyKROOYQLFJHYMJI-MTJSOVHGSA-N
XLogP2.77
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 3567082
(3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 7269525
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7462993
(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide
CID 5371000
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide
CID 6259574
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7516727
N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
CID 5393099
N-[2-[(2S)-butan-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 7299999
N-(1-naphthalen-2-ylethylideneamino)-2-thiophen-2-ylacetamide
CID 951064
N-[2-[(thiophen-2-ylmethylamino)methyl]phenyl]acetamide
CID 66290268

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide?
The IUPAC name of (3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide (CID 6298048) is (3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for (3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide?
The canonical SMILES for (3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide is CC(=O)Nc1ccccc1NC(=O)C/C(C)=N\NC(=O)Cc1cccs1.
What is the InChIKey of (3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide?
The InChIKey is KROOYQLFJHYMJI-MTJSOVHGSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12(21-22-18(25)11-14-6-5-9-26-14)10-17(24)20-16-8-4-3-7-15(16)19-13(2)23/h3-9H,10-11H2,1-2H3,(H,19,23)(H,20,24)(H,22,25)/b21-12-.
What are the key properties of (3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide?
(3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide has a molecular weight of 372.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 6298048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).