2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C18H17N3O3S — CID 3224454

IUPAC2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)NCc2cccs2)n1
InChIInChI=1S/C18H17N3O3S/c1-24-16-7-3-2-6-14(16)15-8-9-18(23)21(20-15)12-17(22)19-11-13-5-4-10-25-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyHXJVZJXBUWVZQL-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.30
Rot. Bonds6

About 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3224454) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3224454
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)NCc2cccs2)n1
InChIInChI=1S/C18H17N3O3S/c1-24-16-7-3-2-6-14(16)15-8-9-18(23)21(20-15)12-17(22)19-11-13-5-4-10-25-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyHXJVZJXBUWVZQL-UHFFFAOYSA-N
XLogP2.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-Methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 3826900
5-(4-methoxyphenyl)-1-propionyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2958983
1-[3-(4-Methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
CID 2953411
N-{2-[2-(4-methoxybenzylidene)hydrazino]-2-oxoethyl}-2-thiophenecarboxamide
CID 9647635
1-ethyl-4-{2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperazine-2,3-dione
CID 16194899
N-({N'-[(1E)-1-(3,4-Dimethoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)thiophene-2-carboxamide
CID 46495190
3-[5-[(4aR,8aS)-4-oxo-3-propan-2-yl-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxyphenyl]-N-(thiophen-2-ylmethyl)prop-2-ynamide
CID 155542744
(E)-N-(2-(2-(2-ethoxybenzylidene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide
CID 9650541
3-[3-(4-methoxyphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(thien-2-ylmethyl)propanamide
CID 16189406
N-({N'-[(1E)-1-(4-Methoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)thiophene-2-carboxamide
CID 46495187
(E)-3-(2,5-dimethoxyphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide
CID 6212022
5-(2,5-Dimethoxyphenyl)-2-methyl-N-(2-thienylmethyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515256

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 3224454) is 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2cccs2)n1.
What is the InChIKey of 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HXJVZJXBUWVZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-24-16-7-3-2-6-14(16)15-8-9-18(23)21(20-15)12-17(22)19-11-13-5-4-10-25-13/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3224454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).