2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide

C18H17N3O2S — CID 7443510

IUPAC2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)c1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-13(14-6-3-2-4-7-14)19-17(22)12-21-18(23)10-9-15(20-21)16-8-5-11-24-16/h2-11,13H,12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyWQRYYFLUGIRVSS-CYBMUJFWSA-N
MW339.42 g/mol
LogP2.85
Rot. Bonds5

About 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide

2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 7443510) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID7443510
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)c1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-13(14-6-3-2-4-7-14)19-17(22)12-21-18(23)10-9-15(20-21)16-8-5-11-24-16/h2-11,13H,12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyWQRYYFLUGIRVSS-CYBMUJFWSA-N
XLogP2.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide with MolForge

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Related Compounds

N-(6-methylheptan-2-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 51053602
2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid
CID 51053856
N-(2-methylsulfanylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049895
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
2-phenacyl-6-thiophen-2-ylpyridazin-3-one
CID 43818842
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 121076577
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenoxyethyl)acetamide
CID 121049977
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40790864
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 121049992
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
CID 121051905
N-[1-(4-ethylphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051909
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide
CID 16676541

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide (CID 7443510) is 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)c1ccccc1.
What is the InChIKey of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is WQRYYFLUGIRVSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-13(14-6-3-2-4-7-14)19-17(22)12-21-18(23)10-9-15(20-21)16-8-5-11-24-16/h2-11,13H,12H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 7443510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).