3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide

C13H14N4O3S — CID 62682894

IUPAC3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide
SMILESNNc1cc(C(=O)NCCc2ccsc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3S/c14-16-11-7-10(1-2-12(11)17(19)20)13(18)15-5-3-9-4-6-21-8-9/h1-2,4,6-8,16H,3,5,14H2,(H,15,18)
InChIKeyJQGHXFHQOGXLDE-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.91
Rot. Bonds6

About 3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide

3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide (PubChem CID 62682894) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide
PubChem CID62682894
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide
SMILESNNc1cc(C(=O)NCCc2ccsc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3S/c14-16-11-7-10(1-2-12(11)17(19)20)13(18)15-5-3-9-4-6-21-8-9/h1-2,4,6-8,16H,3,5,14H2,(H,15,18)
InChIKeyJQGHXFHQOGXLDE-UHFFFAOYSA-N
XLogP1.91
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 115549494
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
3-chloro-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 82781557
N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 91647846
3-hydrazinyl-4-nitro-N-(2-pyrazol-1-ylethyl)benzamide
CID 62682526
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide
CID 65042968
3-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
CID 63961052
2-hydrazinyl-6-methyl-N-(2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 113379201
3-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 82873539
3-hydrazinyl-N-(2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 105071885

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide (CID 62682894) is 3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide is NNc1cc(C(=O)NCCc2ccsc2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide?
The InChIKey is JQGHXFHQOGXLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c14-16-11-7-10(1-2-12(11)17(19)20)13(18)15-5-3-9-4-6-21-8-9/h1-2,4,6-8,16H,3,5,14H2,(H,15,18).
What are the key properties of 3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide?
3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide has a molecular weight of 306.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 62682894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).