2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide

C13H14N4O3S — CID 115937127

IUPAC2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C13H14N4O3S/c1-16(7-9-5-6-21-8-9)13(18)10-3-2-4-11(17(19)20)12(10)15-14/h2-6,8,15H,7,14H2,1H3
InChIKeyHPDZMRWXJDAYRO-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.21
Rot. Bonds5

About 2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide

2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 115937127) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
PubChem CID115937127
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C13H14N4O3S/c1-16(7-9-5-6-21-8-9)13(18)10-3-2-4-11(17(19)20)12(10)15-14/h2-6,8,15H,7,14H2,1H3
InChIKeyHPDZMRWXJDAYRO-UHFFFAOYSA-N
XLogP2.21
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
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

2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 103799855
N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 18117285
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N-methyl-3-nitrobenzamide
CID 115937177
N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-3-nitrobenzamide
CID 112580647
5-amino-4-fluoro-N-methyl-2-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 62155138
3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113386383
2-chloro-N-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 43396643
N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 27889649
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62167817
2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide
CID 115936998
4-anilino-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 18117315

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide (CID 115937127) is 2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of 2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is HPDZMRWXJDAYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-16(7-9-5-6-21-8-9)13(18)10-3-2-4-11(17(19)20)12(10)15-14/h2-6,8,15H,7,14H2,1H3.
What are the key properties of 2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide?
2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 306.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 115937127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).