N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide

C20H21N3OS — CID 134025531

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSc1nncc2ccccc12
InChIInChI=1S/C20H21N3OS/c1-13(2)16-10-6-7-14(3)19(16)22-18(24)12-25-20-17-9-5-4-8-15(17)11-21-23-20/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKeyQDOAPKDQWIJGSY-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.79
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 134025531) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide
PubChem CID134025531
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSc1nncc2ccccc12
InChIInChI=1S/C20H21N3OS/c1-13(2)16-10-6-7-14(3)19(16)22-18(24)12-25-20-17-9-5-4-8-15(17)11-21-23-20/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKeyQDOAPKDQWIJGSY-UHFFFAOYSA-N
XLogP4.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 35501492
N-(2-methyl-6-propan-2-ylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412358
N-(2-methylpropyl)-2-phthalazin-1-ylsulfanylacetamide
CID 47154239
N-[(2R)-2-hydroxypropyl]-2-phthalazin-1-ylsulfanylacetamide
CID 40543272
N-[(1S)-1-phenylethyl]-2-phthalazin-1-ylsulfanylacetamide
CID 42427689
2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2591845
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7415946
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 46693728
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2338112
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40625938
N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46683994
N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025528

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide (CID 134025531) is N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide is Cc1cccc(C(C)C)c1NC(=O)CSc1nncc2ccccc12.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is QDOAPKDQWIJGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-13(2)16-10-6-7-14(3)19(16)22-18(24)12-25-20-17-9-5-4-8-15(17)11-21-23-20/h4-11,13H,12H2,1-3H3,(H,22,24).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 351.48 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 134025531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).