2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide

C19H19N3O2S — CID 74233967

IUPAC2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)NCc1csc2c1CCCC2
InChIInChI=1S/C19H19N3O2S/c23-18(20-9-14-12-25-17-8-4-3-6-15(14)17)11-22-19(24)16-7-2-1-5-13(16)10-21-22/h1-2,5,7,10,12H,3-4,6,8-9,11H2,(H,20,23)
InChIKeyHUOWQXIRSXNPBL-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.65
Rot. Bonds4

About 2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide

2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide (PubChem CID 74233967) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide
PubChem CID74233967
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)NCc1csc2c1CCCC2
InChIInChI=1S/C19H19N3O2S/c23-18(20-9-14-12-25-17-8-4-3-6-15(14)17)11-22-19(24)16-7-2-1-5-13(16)10-21-22/h1-2,5,7,10,12H,3-4,6,8-9,11H2,(H,20,23)
InChIKeyHUOWQXIRSXNPBL-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 119619251
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 39997377
N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 110886182
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 7694826
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 72853923
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide
CID 131922267
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898
2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954402
N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 49012669
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 46571757
2-phenacylphthalazin-1-one
CID 60774188

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide (CID 74233967) is 2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide is O=C(Cn1ncc2ccccc2c1=O)NCc1csc2c1CCCC2.
What is the InChIKey of 2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide?
The InChIKey is HUOWQXIRSXNPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-18(20-9-14-12-25-17-8-4-3-6-15(14)17)11-22-19(24)16-7-2-1-5-13(16)10-21-22/h1-2,5,7,10,12H,3-4,6,8-9,11H2,(H,20,23).
What are the key properties of 2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide?
2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 74233967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).