N-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide

C17H15N3OS — CID 2962668

IUPACN-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nncc3ccccc23)cc1
InChIInChI=1S/C17H15N3OS/c1-12-6-8-14(9-7-12)19-16(21)11-22-17-15-5-3-2-4-13(15)10-18-20-17/h2-10H,11H2,1H3,(H,19,21)
InChIKeyUSDZTYWDAGWLLE-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.67
Rot. Bonds4

About N-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide

N-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 2962668) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide
PubChem CID2962668
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nncc3ccccc23)cc1
InChIInChI=1S/C17H15N3OS/c1-12-6-8-14(9-7-12)19-16(21)11-22-17-15-5-3-2-4-13(15)10-18-20-17/h2-10H,11H2,1H3,(H,19,21)
InChIKeyUSDZTYWDAGWLLE-UHFFFAOYSA-N
XLogP3.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide (CID 2962668) is N-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide is Cc1ccc(NC(=O)CSc2nncc3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is USDZTYWDAGWLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12-6-8-14(9-7-12)19-16(21)11-22-17-15-5-3-2-4-13(15)10-18-20-17/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of N-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide?
N-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 309.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 2962668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).