2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide

C20H18ClN3O2S — CID 8541401

IUPAC2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2ccc(-c3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C20H18ClN3O2S/c1-26-17-4-2-3-14(11-17)12-22-19(25)13-27-20-10-9-18(23-24-20)15-5-7-16(21)8-6-15/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyBNAJMORUCXHZAG-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.21
Rot. Bonds7

About 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide

2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 8541401) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID8541401
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2ccc(-c3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C20H18ClN3O2S/c1-26-17-4-2-3-14(11-17)12-22-19(25)13-27-20-10-9-18(23-24-20)15-5-7-16(21)8-6-15/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyBNAJMORUCXHZAG-UHFFFAOYSA-N
XLogP4.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073991
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 6402505
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 8543370
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27443662
N-[(2-methoxyphenyl)methyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936649
N-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502633
N-(2-chlorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699217
N-(2-fluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502862
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 7692216

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (CID 8541401) is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CSc2ccc(-c3ccc(Cl)cc3)nn2)c1.
What is the InChIKey of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is BNAJMORUCXHZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-26-17-4-2-3-14(11-17)12-22-19(25)13-27-20-10-9-18(23-24-20)15-5-7-16(21)8-6-15/h2-11H,12-13H2,1H3,(H,22,25).
What are the key properties of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 399.90 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8541401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).