N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide

C19H19N3OS — CID 6401674

IUPACN-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nnc(C)c3ccccc23)c(C)c1
InChIInChI=1S/C19H19N3OS/c1-12-8-9-17(13(2)10-12)20-18(23)11-24-19-16-7-5-4-6-15(16)14(3)21-22-19/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyUSWMWXCTVFUUJC-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.29
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide

N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide (PubChem CID 6401674) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
PubChem CID6401674
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nnc(C)c3ccccc23)c(C)c1
InChIInChI=1S/C19H19N3OS/c1-12-8-9-17(13(2)10-12)20-18(23)11-24-19-16-7-5-4-6-15(16)14(3)21-22-19/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyUSWMWXCTVFUUJC-UHFFFAOYSA-N
XLogP4.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
CID 5291265
N-(2,4-dimethylphenyl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide
CID 43814932
N-benzyl-2-(4-methylphthalazin-1-yl)sulfanylacetamide
CID 6401253
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 1151547
N-(2,4-dimethylphenyl)-2-[[1-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]acetamide
CID 53082869
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
N-(2-chloro-4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide
CID 134025528
N-(2,4-dimethylphenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082823
N-(2,4-dimethylphenyl)-2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19727479
N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 24652598
2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 40655882

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide (CID 6401674) is N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2nnc(C)c3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide?
The InChIKey is USWMWXCTVFUUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-12-8-9-17(13(2)10-12)20-18(23)11-24-19-16-7-5-4-6-15(16)14(3)21-22-19/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide?
N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide has a molecular weight of 337.45 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide is sourced from PubChem (CID 6401674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).