N-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide

C17H15N3OS — CID 6408965

IUPACN-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide
SMILESCN(C(=O)CSc1nncc2ccccc12)c1ccccc1
InChIInChI=1S/C17H15N3OS/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/h2-11H,12H2,1H3
InChIKeyYGTWMAJKHWPIDJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.38
Rot. Bonds4

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

N-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 6408965) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide
PubChem CID6408965
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide
SMILESCN(C(=O)CSc1nncc2ccccc12)c1ccccc1
InChIInChI=1S/C17H15N3OS/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/h2-11H,12H2,1H3
InChIKeyYGTWMAJKHWPIDJ-UHFFFAOYSA-N
XLogP3.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide (CID 6408965) is N-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide is CN(C(=O)CSc1nncc2ccccc12)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is YGTWMAJKHWPIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/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/h2-11H,12H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide?
N-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 309.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 6408965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).