N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide

C19H16N4O3S — CID 7502695

IUPACN-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)c1
InChIInChI=1S/C19H16N4O3S/c1-13-4-2-6-15(10-13)20-18(24)12-27-19-9-8-17(21-22-19)14-5-3-7-16(11-14)23(25)26/h2-11H,12H2,1H3,(H,20,24)
InChIKeyREQPLJXPRQGKCP-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.09
Rot. Bonds6

About N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide

N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7502695) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7502695
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1cccc(NC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)c1
InChIInChI=1S/C19H16N4O3S/c1-13-4-2-6-15(10-13)20-18(24)12-27-19-9-8-17(21-22-19)14-5-3-7-16(11-14)23(25)26/h2-11H,12H2,1H3,(H,20,24)
InChIKeyREQPLJXPRQGKCP-UHFFFAOYSA-N
XLogP4.09
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.09
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-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502592
N-(3-fluoro-4-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8541966
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 7502877
N-(3-nitrophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 7222495
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7205910
N-(3-methyl-1,2-oxazol-5-yl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 45497454
2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7205900
N-[(4-fluorophenyl)methyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502709
2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
CID 21371340
N-(3-fluorophenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542501
N-(furan-2-ylmethyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7254174
N-(3,5-dimethylphenyl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 21371344

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide (CID 7502695) is N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide is Cc1cccc(NC(=O)CSc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is REQPLJXPRQGKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-13-4-2-6-15(10-13)20-18(24)12-27-19-9-8-17(21-22-19)14-5-3-7-16(11-14)23(25)26/h2-11H,12H2,1H3,(H,20,24).
What are the key properties of N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide?
N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 380.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7502695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).