N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide

C22H24N4O2S — CID 53073991

IUPACN-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
SMILESCOc1cccc(CNC(=O)CSc2ccc(NCc3ccc(C)cc3)nn2)c1
InChIInChI=1S/C22H24N4O2S/c1-16-6-8-17(9-7-16)13-23-20-10-11-22(26-25-20)29-15-21(27)24-14-18-4-3-5-19(12-18)28-2/h3-12H,13-15H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyQJSTVLYOAHZPBK-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.81
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide

N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide (PubChem CID 53073991) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
PubChem CID53073991
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
SMILESCOc1cccc(CNC(=O)CSc2ccc(NCc3ccc(C)cc3)nn2)c1
InChIInChI=1S/C22H24N4O2S/c1-16-6-8-17(9-7-16)13-23-20-10-11-22(26-25-20)29-15-21(27)24-14-18-4-3-5-19(12-18)28-2/h3-12H,13-15H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyQJSTVLYOAHZPBK-UHFFFAOYSA-N
XLogP3.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 53073932
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8541401
6-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118599
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CID 43816558
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997173
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 7692216
ethyl 4-[[2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 53073966
N-[(3-methoxyphenyl)methyl]-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 18083219
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
N-[(3-methoxyphenyl)methyl]-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 38652106
N-[(3-methoxyphenyl)methyl]-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7377946

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide (CID 53073991) is N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide is COc1cccc(CNC(=O)CSc2ccc(NCc3ccc(C)cc3)nn2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is QJSTVLYOAHZPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16-6-8-17(9-7-16)13-23-20-10-11-22(26-25-20)29-15-21(27)24-14-18-4-3-5-19(12-18)28-2/h3-12H,13-15H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide?
N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 408.53 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 53073991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).