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

C18H15N3O2S2 — CID 20900462

IUPACN-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2ccc(-c3cccs3)nn2)c1
InChIInChI=1S/C18H15N3O2S2/c1-12(22)13-4-2-5-14(10-13)19-17(23)11-25-18-8-7-15(20-21-18)16-6-3-9-24-16/h2-10H,11H2,1H3,(H,19,23)
InChIKeyPNADWHBUOOJLLS-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.14
Rot. Bonds6

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

N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 20900462) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID20900462
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC NameN-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2ccc(-c3cccs3)nn2)c1
InChIInChI=1S/C18H15N3O2S2/c1-12(22)13-4-2-5-14(10-13)19-17(23)11-25-18-8-7-15(20-21-18)16-6-3-9-24-16/h2-10H,11H2,1H3,(H,19,23)
InChIKeyPNADWHBUOOJLLS-UHFFFAOYSA-N
XLogP4.14
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900437
N-(3,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900443
N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900448
N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206083
N-(3-methylphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 27537598
N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900460
N-(3-acetylphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916753
N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 27461184
1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
CID 30288651
N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7688093
N-(3-acetylphenyl)-2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 125432598
N-(3-acetylphenyl)-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 16542391

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (CID 20900462) is N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is CC(=O)c1cccc(NC(=O)CSc2ccc(-c3cccs3)nn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is PNADWHBUOOJLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-12(22)13-4-2-5-14(10-13)19-17(23)11-25-18-8-7-15(20-21-18)16-6-3-9-24-16/h2-10H,11H2,1H3,(H,19,23).
What are the key properties of N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 369.47 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 20900462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).