N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide

C17H21N3OS — CID 6408961

IUPACN-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide
SMILESCN(C(=O)CSc1nncc2ccccc12)C1CCCCC1
InChIInChI=1S/C17H21N3OS/c1-20(14-8-3-2-4-9-14)16(21)12-22-17-15-10-6-5-7-13(15)11-18-19-17/h5-7,10-11,14H,2-4,8-9,12H2,1H3
InChIKeyCILQWUBJDAKXPZ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.51
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide

N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 6408961) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide
PubChem CID6408961
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide
SMILESCN(C(=O)CSc1nncc2ccccc12)C1CCCCC1
InChIInChI=1S/C17H21N3OS/c1-20(14-8-3-2-4-9-14)16(21)12-22-17-15-10-6-5-7-13(15)11-18-19-17/h5-7,10-11,14H,2-4,8-9,12H2,1H3
InChIKeyCILQWUBJDAKXPZ-UHFFFAOYSA-N
XLogP3.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Phthalazin-1-ylsulfanyl)-N-p-tolyl-acetamide
CID 2962668
N-(4-fluorophenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 5295572
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-propan-2-ylacetamide
CID 6409407
N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-methylacetamide
CID 6411790
N-Phenyl-2-(phthalazin-1-ylsulfanyl)-acetamide
CID 6402832
N-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide
CID 6408965
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N,N-dimethylacetamide
CID 6409016
1-Morpholin-4-yl-2-phthalazin-1-ylsulfanylethanone
CID 740778
2-(Phthalazin-1-ylsulfanyl)-1-(piperidin-1-yl)ethanone
CID 2319922
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide
CID 6413621
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-naphthalen-1-ylpyridazin-3-yl)sulfanylethanone
CID 57328865
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-naphthalen-1-ylpyridazin-3-yl)sulfanylethanone
CID 57328864

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide (CID 6408961) is N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide is CN(C(=O)CSc1nncc2ccccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is CILQWUBJDAKXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-20(14-8-3-2-4-9-14)16(21)12-22-17-15-10-6-5-7-13(15)11-18-19-17/h5-7,10-11,14H,2-4,8-9,12H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide?
N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 315.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 6408961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).