N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C18H16BrN3O2S — CID 6499077

IUPACN-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCc1c(Br)ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)c1C
InChIInChI=1S/C18H16BrN3O2S/c1-11-12(2)14(6-5-13(11)19)20-17(23)10-22-18(24)8-7-15(21-22)16-4-3-9-25-16/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyRICVYNZNDPEAIZ-UHFFFAOYSA-N
MW418.32 g/mol
LogP3.99
Rot. Bonds4

About N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 6499077) has the molecular formula C18H16BrN3O2S and a molecular weight of 418.32 g/mol. Its IUPAC name is N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID6499077
Molecular FormulaC18H16BrN3O2S
Molecular Weight418.32 g/mol
Exact Mass417.01
IUPAC NameN-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCc1c(Br)ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)c1C
InChIInChI=1S/C18H16BrN3O2S/c1-11-12(2)14(6-5-13(11)19)20-17(23)10-22-18(24)8-7-15(21-22)16-4-3-9-25-16/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyRICVYNZNDPEAIZ-UHFFFAOYSA-N
XLogP3.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-Dimethyl-phenyl)-2-(6-oxo-3-thiophen-2-yl-6H-pyridazin-1-yl)-acetamide
CID 6499073
N-(4-bromo-3,5-dimethylphenyl)-2-[6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl]acetamide
CID 6499078
N-(4-bromophenyl)-2-[3-methyl-6-oxo-5-(thiophen-3-ylmethyl)pyridazin-1-yl]acetamide
CID 71699059
N-(4-bromophenyl)-2-[3-methyl-6-oxo-5-(thiophen-2-ylmethyl)pyridazin-1-yl]acetamide
CID 71699060
N-(4-Bromo-phenyl)-2-(6-oxo-3-thiophen-2-yl-6H-pyridazin-1-yl)-acetamide
CID 6499066
(Naphthalen-1-ylamino)-acetic acid [1-(5-bromo-thiophen-2-yl)-ethylidene]-hydraz
CID 9591243
N-(4-Bromo-3-methylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926913
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)acetamide
CID 121049881
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)propanamide
CID 121076559
N-[1-(5-bromothiophen-2-yl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1095079
N-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 7659573
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
CID 16676545

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 6499077) is N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is Cc1c(Br)ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)c1C.
What is the InChIKey of N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is RICVYNZNDPEAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2S/c1-11-12(2)14(6-5-13(11)19)20-17(23)10-22-18(24)8-7-15(21-22)16-4-3-9-25-16/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 418.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 6499077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).