N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C18H23N3O2S — CID 32542356

IUPACN-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)NCCSC2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O2S/c1-21-18(23)15-9-5-4-8-14(15)16(20-21)12-17(22)19-10-11-24-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,19,22)
InChIKeyONBAVGPXIOBQDD-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.27
Rot. Bonds6

About N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 32542356) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID32542356
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)NCCSC2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O2S/c1-21-18(23)15-9-5-4-8-14(15)16(20-21)12-17(22)19-10-11-24-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,19,22)
InChIKeyONBAVGPXIOBQDD-UHFFFAOYSA-N
XLogP2.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55953291
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 124812329
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
1-[[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543615
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9309082
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55633973
N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 120831381
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205666
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 27710609
2-(3-methyl-4-oxophthalazin-1-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35234780
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 49032784

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 32542356) is N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)NCCSC2CCCC2)c2ccccc2c1=O.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is ONBAVGPXIOBQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-21-18(23)15-9-5-4-8-14(15)16(20-21)12-17(22)19-10-11-24-13-6-2-3-7-13/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3,(H,19,22).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 32542356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).