3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide

C13H14N4O3S — CID 115549594

IUPAC3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NN)c1[N+](=O)[O-])c1ccsc1
InChIInChI=1S/C13H14N4O3S/c1-8(9-5-6-21-7-9)15-13(18)10-3-2-4-11(16-14)12(10)17(19)20/h2-8,16H,14H2,1H3,(H,15,18)
InChIKeyXGVPURRXMVHRCP-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.43
Rot. Bonds5

About 3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide

3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide (PubChem CID 115549594) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide
PubChem CID115549594
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NN)c1[N+](=O)[O-])c1ccsc1
InChIInChI=1S/C13H14N4O3S/c1-8(9-5-6-21-7-9)15-13(18)10-3-2-4-11(16-14)12(10)17(19)20/h2-8,16H,14H2,1H3,(H,15,18)
InChIKeyXGVPURRXMVHRCP-UHFFFAOYSA-N
XLogP2.43
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.43
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-amino-2-nitro-N-(1-thiophen-3-ylethyl)benzamide
CID 115548964
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
2-(methylamino)-3-nitro-N-(1-thiophen-3-ylethyl)benzamide
CID 115936726
3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 115549494
2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 62842689
2-(ethylamino)-N-(1-thiophen-3-ylethyl)benzamide
CID 55127001
N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549532
3-hydrazinyl-2-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 115549566
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
3-(methylamino)-2-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218033
3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 115549682
N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549451

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide?
The IUPAC name of 3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide (CID 115549594) is 3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide is CC(NC(=O)c1cccc(NN)c1[N+](=O)[O-])c1ccsc1.
What is the InChIKey of 3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide?
The InChIKey is XGVPURRXMVHRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-8(9-5-6-21-7-9)15-13(18)10-3-2-4-11(16-14)12(10)17(19)20/h2-8,16H,14H2,1H3,(H,15,18).
What are the key properties of 3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide?
3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide has a molecular weight of 306.35 g/mol, XLogP of 2.43, 5 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-(1-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 115549594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).