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

C13H14N4O3S — CID 115549494

IUPAC3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide
SMILESNNc1cccc(C(=O)NCCc2ccsc2)c1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3S/c14-16-11-3-1-2-10(12(11)17(19)20)13(18)15-6-4-9-5-7-21-8-9/h1-3,5,7-8,16H,4,6,14H2,(H,15,18)
InChIKeyRPLJMXVHZBONKB-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.91
Rot. Bonds6

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

3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide (PubChem CID 115549494) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide
PubChem CID115549494
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide
SMILESNNc1cccc(C(=O)NCCc2ccsc2)c1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3S/c14-16-11-3-1-2-10(12(11)17(19)20)13(18)15-6-4-9-5-7-21-8-9/h1-3,5,7-8,16H,4,6,14H2,(H,15,18)
InChIKeyRPLJMXVHZBONKB-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)aniline
CID 80897775
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549371
3-hydrazinyl-4-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 62682894
3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 113333609
3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115549606
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide
CID 115549594
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
3-hydrazinyl-N-(2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 105071885
2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide
CID 103890273
3-methyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline
CID 102605049
3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 115549529

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide (CID 115549494) is 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide is NNc1cccc(C(=O)NCCc2ccsc2)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide?
The InChIKey is RPLJMXVHZBONKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c14-16-11-3-1-2-10(12(11)17(19)20)13(18)15-6-4-9-5-7-21-8-9/h1-3,5,7-8,16H,4,6,14H2,(H,15,18).
What are the key properties of 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide?
3-hydrazinyl-2-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-2-nitro-N-(2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 115549494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).