N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C14H12N4O4S — CID 6882316

IUPACN-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C14H12N4O4S/c19-12(9-15-14(20)10-4-2-1-3-5-10)17-16-8-11-6-7-13(23-11)18(21)22/h1-8H,9H2,(H,15,20)(H,17,19)/b16-8+
InChIKeyGFXCXLANLQRORB-LZYBPNLTSA-N
MW332.34 g/mol
LogP1.54
Rot. Bonds6

About N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 6882316) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID6882316
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC NameN-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C14H12N4O4S/c19-12(9-15-14(20)10-4-2-1-3-5-10)17-16-8-11-6-7-13(23-11)18(21)22/h1-8H,9H2,(H,15,20)(H,17,19)/b16-8+
InChIKeyGFXCXLANLQRORB-LZYBPNLTSA-N
XLogP1.54
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N'-[(5-nitro-2-thienyl)methylene]benzohydrazide
CID 9580204
3-Fluoro-N-({N'-[(E)-(thiophen-2-YL)methylidene]hydrazinecarbonyl}methyl)benzamide
CID 6882567
2-[(4-Methylphenyl)amino]-N'-[(E)-(5-nitrothiophen-2-YL)methylidene]propanehydrazide
CID 9661729
2-(2-methylanilino)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 5335244
4-methyl-N'-[(5-nitro-2-thienyl)methylene]benzohydrazide
CID 5393549
N'-[(5-nitro-2-thienyl)methylene]-2-phenylacetohydrazide
CID 9557209
(E)-2-methyl-N-(2-(2-((3-methylthiophen-2-yl)methylene)hydrazinyl)-2-oxoethyl)-3-nitrobenzamide
CID 9605765
2-chloro-N-(2-{(2E)-2-[(5-nitrothien-2-yl)methylene]hydrazino}-2-oxoethyl)benzamide
CID 9641148
N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 44593526
(E)-4-methyl-3-nitro-N-(2-oxo-2-(2-(thiophen-2-ylmethylene)hydrazinyl)ethyl)benzamide
CID 9658773
2-fluoro-N-{2-oxo-2-[(2E)-2-(thien-2-ylmethylene)hydrazino]ethyl}benzamide
CID 5333639
(E)-N-(2-(2-((3-methylthiophen-2-yl)methylene)hydrazinyl)-2-oxoethyl)benzamide
CID 9623150

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 6882316) is N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is GFXCXLANLQRORB-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H12N4O4S/c19-12(9-15-14(20)10-4-2-1-3-5-10)17-16-8-11-6-7-13(23-11)18(21)22/h1-8H,9H2,(H,15,20)(H,17,19)/b16-8+.
What are the key properties of N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 332.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 6882316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).