2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C23H21N3O5S — CID 36658790

IUPAC2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C23H21N3O5S/c1-29-17-11-14(12-18(30-2)22(17)31-3)24-20(27)13-26-23(28)16-8-5-4-7-15(16)21(25-26)19-9-6-10-32-19/h4-12H,13H2,1-3H3,(H,24,27)
InChIKeyGGGZWUHORHSGJH-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.79
Rot. Bonds7

About 2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 36658790) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is 2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID36658790
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC Name2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C23H21N3O5S/c1-29-17-11-14(12-18(30-2)22(17)31-3)24-20(27)13-26-23(28)16-8-5-4-7-15(16)21(25-26)19-9-6-10-32-19/h4-12H,13H2,1-3H3,(H,24,27)
InChIKeyGGGZWUHORHSGJH-UHFFFAOYSA-N
XLogP3.79
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide
CID 18288671
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide
CID 78881021
2-[4-[(1-oxo-4-thiophen-2-ylphthalazin-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 36699769
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 46960778
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16507503
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 16530551
2-[4-(3,4-dimethylphenyl)-1-oxophthalazin-2-yl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 46192562
2-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-4-thiophen-2-ylphthalazin-1-one
CID 25493199
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 1309611

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 36658790) is 2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2nc(-c3cccs3)c3ccccc3c2=O)cc(OC)c1OC.
What is the InChIKey of 2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is GGGZWUHORHSGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-29-17-11-14(12-18(30-2)22(17)31-3)24-20(27)13-26-23(28)16-8-5-4-7-15(16)21(25-26)19-9-6-10-32-19/h4-12H,13H2,1-3H3,(H,24,27).
What are the key properties of 2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 451.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 36658790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).