N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide

C24H21N3O5S — CID 3296136

IUPACN-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide
SMILESCOc1ccc(N2C(=O)CC(N(NC(=O)Cc3cccs3)C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H21N3O5S/c1-32-18-11-9-17(10-12-18)26-22(29)15-20(24(26)31)27(23(30)16-6-3-2-4-7-16)25-21(28)14-19-8-5-13-33-19/h2-13,20H,14-15H2,1H3,(H,25,28)
InChIKeyHWUHQLHIHXKGJV-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.80
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide

N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide (PubChem CID 3296136) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide
PubChem CID3296136
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC NameN-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide
SMILESCOc1ccc(N2C(=O)CC(N(NC(=O)Cc3cccs3)C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H21N3O5S/c1-32-18-11-9-17(10-12-18)26-22(29)15-20(24(26)31)27(23(30)16-6-3-2-4-7-16)25-21(28)14-19-8-5-13-33-19/h2-13,20H,14-15H2,1H3,(H,25,28)
InChIKeyHWUHQLHIHXKGJV-UHFFFAOYSA-N
XLogP2.80
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 3350387
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 5033463
N-[1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-methoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 3978489
4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 3836875
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 3318387
N'-[2-(4-methoxyphenoxy)acetyl]-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3795627
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)-2-phenylacetohydrazide
CID 3916327
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 23745204
N'-benzoyl-4-methoxy-N'-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3894788
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 4211772
ethyl N-[benzoyl-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamate
CID 4590585
N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(4-methoxybenzoyl)-2-nitrobenzohydrazide
CID 4597658

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide (CID 3296136) is N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide is COc1ccc(N2C(=O)CC(N(NC(=O)Cc3cccs3)C(=O)c3ccccc3)C2=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The InChIKey is HWUHQLHIHXKGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-32-18-11-9-17(10-12-18)26-22(29)15-20(24(26)31)27(23(30)16-6-3-2-4-7-16)25-21(28)14-19-8-5-13-33-19/h2-13,20H,14-15H2,1H3,(H,25,28).
What are the key properties of N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide has a molecular weight of 463.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide is sourced from PubChem (CID 3296136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).