N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide

C18H21N3O2S — CID 3567082

IUPACN-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1cc(C)ccc1C)=NNC(=O)Cc1cccs1
InChIInChI=1S/C18H21N3O2S/c1-12-6-7-13(2)16(9-12)19-17(22)10-14(3)20-21-18(23)11-15-5-4-8-24-15/h4-9H,10-11H2,1-3H3,(H,19,22)(H,21,23)
InChIKeySZOGAUGSBQEUBI-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.43
Rot. Bonds6

About N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide

N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide (PubChem CID 3567082) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
PubChem CID3567082
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1cc(C)ccc1C)=NNC(=O)Cc1cccs1
InChIInChI=1S/C18H21N3O2S/c1-12-6-7-13(2)16(9-12)19-17(22)10-14(3)20-21-18(23)11-15-5-4-8-24-15/h4-9H,10-11H2,1-3H3,(H,19,22)(H,21,23)
InChIKeySZOGAUGSBQEUBI-UHFFFAOYSA-N
XLogP3.43
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.43
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'}

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Related Compounds

(3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 6298048
[2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965622
(3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 7269525
N-[4-methyl-2-[(2-thiophen-2-ylacetyl)amino]phenyl]thiophene-2-carboxamide
CID 3164945
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113000560
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
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-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide
CID 7908243
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide
CID 135603281
N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7462993
[2-(2,5-dimethylanilino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055138

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide (CID 3567082) is N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide is CC(CC(=O)Nc1cc(C)ccc1C)=NNC(=O)Cc1cccs1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide?
The InChIKey is SZOGAUGSBQEUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-6-7-13(2)16(9-12)19-17(22)10-14(3)20-21-18(23)11-15-5-4-8-24-15/h4-9H,10-11H2,1-3H3,(H,19,22)(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide?
N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide has a molecular weight of 343.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 3567082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).