2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

C18H19N3O3S — CID 17437467

IUPAC2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1cccs1
InChIInChI=1S/C18H19N3O3S/c1-11(2)16(14-8-5-9-25-14)19-15(22)10-21-18(24)13-7-4-3-6-12(13)17(23)20-21/h3-9,11,16H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKWASXRMNMZWHMF-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.26
Rot. Bonds5

About 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (PubChem CID 17437467) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
PubChem CID17437467
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1cccs1
InChIInChI=1S/C18H19N3O3S/c1-11(2)16(14-8-5-9-25-14)19-15(22)10-21-18(24)13-7-4-3-6-12(13)17(23)20-21/h3-9,11,16H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKWASXRMNMZWHMF-UHFFFAOYSA-N
XLogP2.26
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 41312473
2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051678
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 40711261
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 30594377
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]propanamide
CID 46565169
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 18116311
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 24572333
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 106672150
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 36799965
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 17478588
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9418997

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (CID 17437467) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is CC(C)C(NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1cccs1.
What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The InChIKey is KWASXRMNMZWHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-11(2)16(14-8-5-9-25-14)19-15(22)10-21-18(24)13-7-4-3-6-12(13)17(23)20-21/h3-9,11,16H,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 17437467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).