2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide

C19H13BrN4OS — CID 172640950

IUPAC2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1
InChIInChI=1S/C19H13BrN4OS/c20-15-5-3-14(4-6-15)17-9-10-19(24-23-17)26-12-18(25)22-16-7-1-13(11-21)2-8-16/h1-10H,12H2,(H,22,25)
InChIKeyNJAMDXUDCMXQQG-UHFFFAOYSA-N
MW425.31 g/mol
LogP4.51
Rot. Bonds5

About 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide

2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide (PubChem CID 172640950) has the molecular formula C19H13BrN4OS and a molecular weight of 425.31 g/mol. Its IUPAC name is 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide
PubChem CID172640950
Molecular FormulaC19H13BrN4OS
Molecular Weight425.31 g/mol
Exact Mass424.00
IUPAC Name2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1
InChIInChI=1S/C19H13BrN4OS/c20-15-5-3-14(4-6-15)17-9-10-19(24-23-17)26-12-18(25)22-16-7-1-13(11-21)2-8-16/h1-10H,12H2,(H,22,25)
InChIKeyNJAMDXUDCMXQQG-UHFFFAOYSA-N
XLogP4.51
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900448
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
N-(3,4-difluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206206
methyl 4-[[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 43936617
N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936708
N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 684468
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide
CID 53073922
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936695
N-(4-bromophenyl)-2-[[6-(4-bromophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 43971535

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide (CID 172640950) is 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1.
What is the InChIKey of 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide?
The InChIKey is NJAMDXUDCMXQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4OS/c20-15-5-3-14(4-6-15)17-9-10-19(24-23-17)26-12-18(25)22-16-7-1-13(11-21)2-8-16/h1-10H,12H2,(H,22,25).
What are the key properties of 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide?
2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide has a molecular weight of 425.31 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 172640950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).