N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

C16H12N4O3S2 — CID 7688093

IUPACN-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2cccs2)nn1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O3S2/c21-15(17-11-4-1-2-5-13(11)20(22)23)10-25-16-8-7-12(18-19-16)14-6-3-9-24-14/h1-9H,10H2,(H,17,21)
InChIKeyYDCMYZQUOSOPAL-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.84
Rot. Bonds6

About N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7688093) has the molecular formula C16H12N4O3S2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7688093
Molecular FormulaC16H12N4O3S2
Molecular Weight372.43 g/mol
Exact Mass372.04
IUPAC NameN-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2cccs2)nn1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O3S2/c21-15(17-11-4-1-2-5-13(11)20(22)23)10-25-16-8-7-12(18-19-16)14-6-3-9-24-14/h1-9H,10H2,(H,17,21)
InChIKeyYDCMYZQUOSOPAL-UHFFFAOYSA-N
XLogP3.84
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7672457
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7688111
N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900460
N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900448
N-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900437
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7672479
N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900462
N-(3,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900443
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 3138497
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 2879195
N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 27461214
2-[[4-amino-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
CID 17074995

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (CID 7688093) is N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-c2cccs2)nn1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is YDCMYZQUOSOPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S2/c21-15(17-11-4-1-2-5-13(11)20(22)23)10-25-16-8-7-12(18-19-16)14-6-3-9-24-14/h1-9H,10H2,(H,17,21).
What are the key properties of N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 372.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7688093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).