N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

C18H17N3O2S — CID 121076536

IUPACN-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCc1cccc(NC(=O)C(C)n2nc(-c3cccs3)ccc2=O)c1
InChIInChI=1S/C18H17N3O2S/c1-12-5-3-6-14(11-12)19-18(23)13(2)21-17(22)9-8-15(20-21)16-7-4-10-24-16/h3-11,13H,1-2H3,(H,19,23)
InChIKeyLBHAWRDTLPVUST-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.48
Rot. Bonds4

About N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (PubChem CID 121076536) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
PubChem CID121076536
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCc1cccc(NC(=O)C(C)n2nc(-c3cccs3)ccc2=O)c1
InChIInChI=1S/C18H17N3O2S/c1-12-5-3-6-14(11-12)19-18(23)13(2)21-17(22)9-8-15(20-21)16-7-4-10-24-16/h3-11,13H,1-2H3,(H,19,23)
InChIKeyLBHAWRDTLPVUST-UHFFFAOYSA-N
XLogP3.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076688
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076512
N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076555
N-cyclopentyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076614
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 121076577
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121119360
N-(2-cyano-4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076580
4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide
CID 121076669
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
(2S)-N-(3-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7456909
(2S)-N-(3-methylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902714
N-(3-methylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 50752296

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (CID 121076536) is N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is Cc1cccc(NC(=O)C(C)n2nc(-c3cccs3)ccc2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The InChIKey is LBHAWRDTLPVUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-5-3-6-14(11-12)19-18(23)13(2)21-17(22)9-8-15(20-21)16-7-4-10-24-16/h3-11,13H,1-2H3,(H,19,23).
What are the key properties of N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide has a molecular weight of 339.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121076536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).