N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide

C18H22N4O3S — CID 53371201

IUPACN-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cn1nc(N2CCSCC2)ccc1=O
InChIInChI=1S/C18H22N4O3S/c1-25-15-5-3-2-4-14(15)12-19-17(23)13-22-18(24)7-6-16(20-22)21-8-10-26-11-9-21/h2-7H,8-13H2,1H3,(H,19,23)
InChIKeyYEYLFYQNLOVOON-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.12
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide

N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide (PubChem CID 53371201) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
PubChem CID53371201
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cn1nc(N2CCSCC2)ccc1=O
InChIInChI=1S/C18H22N4O3S/c1-25-15-5-3-2-4-14(15)12-19-17(23)13-22-18(24)7-6-16(20-22)21-8-10-26-11-9-21/h2-7H,8-13H2,1H3,(H,19,23)
InChIKeyYEYLFYQNLOVOON-UHFFFAOYSA-N
XLogP1.12
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
CID 53368198
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53023455
N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 41376649
1-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 27451050
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 53023459
N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 91840853
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 71708480
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 43445280
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686502

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide (CID 53371201) is N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide is COc1ccccc1CNC(=O)Cn1nc(N2CCSCC2)ccc1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide?
The InChIKey is YEYLFYQNLOVOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-25-15-5-3-2-4-14(15)12-19-17(23)13-22-18(24)7-6-16(20-22)21-8-10-26-11-9-21/h2-7H,8-13H2,1H3,(H,19,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide has a molecular weight of 374.47 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 53371201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).