N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide

C18H14N4O3S — CID 7502592

IUPACN-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N4O3S/c23-17(19-14-7-4-8-15(11-14)22(24)25)12-26-18-10-9-16(20-21-18)13-5-2-1-3-6-13/h1-11H,12H2,(H,19,23)
InChIKeyYSCGXHBISOQWSU-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.78
Rot. Bonds6

About N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide

N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7502592) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
PubChem CID7502592
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC NameN-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N4O3S/c23-17(19-14-7-4-8-15(11-14)22(24)25)12-26-18-10-9-16(20-21-18)13-5-2-1-3-6-13/h1-11H,12H2,(H,19,23)
InChIKeyYSCGXHBISOQWSU-UHFFFAOYSA-N
XLogP3.78
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(3-nitrophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 7222495
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 7502877
N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502695
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 1338155
N-(3-fluoro-4-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8541966
N-(4-fluoro-3-nitrophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936697
N-(3-methyl-1,2-oxazol-5-yl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 45497454
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7205910
2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7205900
N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936695
N-(3-fluoro-4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541133
N-[(4-fluorophenyl)methyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502709

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (CID 7502592) is N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-c2ccccc2)nn1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is YSCGXHBISOQWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c23-17(19-14-7-4-8-15(11-14)22(24)25)12-26-18-10-9-16(20-21-18)13-5-2-1-3-6-13/h1-11H,12H2,(H,19,23).
What are the key properties of N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 366.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7502592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).