N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide

C23H18N4O6S — CID 5033463

IUPACN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide
SMILESO=C(Cc1cccs1)NN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C23H18N4O6S/c28-20(13-18-7-4-12-34-18)24-26(22(30)15-8-10-17(11-9-15)27(32)33)19-14-21(29)25(23(19)31)16-5-2-1-3-6-16/h1-12,19H,13-14H2,(H,24,28)
InChIKeyOCDBWJXVAXZVHU-UHFFFAOYSA-N
MW478.49 g/mol
LogP2.70
Rot. Bonds6

About N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide

N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide (PubChem CID 5033463) has the molecular formula C23H18N4O6S and a molecular weight of 478.49 g/mol. Its IUPAC name is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide.

Molecular Properties

Compound NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide
PubChem CID5033463
Molecular FormulaC23H18N4O6S
Molecular Weight478.49 g/mol
Exact Mass478.09
IUPAC NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide
SMILESO=C(Cc1cccs1)NN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C23H18N4O6S/c28-20(13-18-7-4-12-34-18)24-26(22(30)15-8-10-17(11-9-15)27(32)33)19-14-21(29)25(23(19)31)16-5-2-1-3-6-16/h1-12,19H,13-14H2,(H,24,28)
InChIKeyOCDBWJXVAXZVHU-UHFFFAOYSA-N
XLogP2.70
TPSA129.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 3296136
N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide
CID 3430216
N-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 3350387
2-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 5042843
N-[1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-methoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 3978489
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitrobenzamide
CID 23745335
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 23774484
N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(4-methoxybenzoyl)-2-nitrobenzohydrazide
CID 4597658
4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 3836875
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 4211772
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2-chlorophenyl)methyl]-4-nitrobenzamide
CID 23916562
[4-[3-[(4-nitrobenzoyl)-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23944531

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide (CID 5033463) is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide.
What is the SMILES notation for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The canonical SMILES for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide is O=C(Cc1cccs1)NN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The InChIKey is OCDBWJXVAXZVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O6S/c28-20(13-18-7-4-12-34-18)24-26(22(30)15-8-10-17(11-9-15)27(32)33)19-14-21(29)25(23(19)31)16-5-2-1-3-6-16/h1-12,19H,13-14H2,(H,24,28).
What are the key properties of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide has a molecular weight of 478.49 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-nitro-N'-(2-thiophen-2-ylacetyl)benzohydrazide is sourced from PubChem (CID 5033463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).