N-phenyl-2-phthalazin-1-ylsulfanylacetamide

C16H13N3OS — CID 6402832

IUPACN-phenyl-2-phthalazin-1-ylsulfanylacetamide
SMILESO=C(CSc1nncc2ccccc12)Nc1ccccc1
InChIInChI=1S/C16H13N3OS/c20-15(18-13-7-2-1-3-8-13)11-21-16-14-9-5-4-6-12(14)10-17-19-16/h1-10H,11H2,(H,18,20)
InChIKeyVHBDXPLMHNJKTM-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.36
Rot. Bonds4

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

N-phenyl-2-phthalazin-1-ylsulfanylacetamide (PubChem CID 6402832) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-phenyl-2-phthalazin-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-phenyl-2-phthalazin-1-ylsulfanylacetamide
PubChem CID6402832
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-phenyl-2-phthalazin-1-ylsulfanylacetamide
SMILESO=C(CSc1nncc2ccccc12)Nc1ccccc1
InChIInChI=1S/C16H13N3OS/c20-15(18-13-7-2-1-3-8-13)11-21-16-14-9-5-4-6-12(14)10-17-19-16/h1-10H,11H2,(H,18,20)
InChIKeyVHBDXPLMHNJKTM-UHFFFAOYSA-N
XLogP3.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-phthalazin-1-ylsulfanylacetamide?
The IUPAC name of N-phenyl-2-phthalazin-1-ylsulfanylacetamide (CID 6402832) is N-phenyl-2-phthalazin-1-ylsulfanylacetamide.
What is the SMILES notation for N-phenyl-2-phthalazin-1-ylsulfanylacetamide?
The canonical SMILES for N-phenyl-2-phthalazin-1-ylsulfanylacetamide is O=C(CSc1nncc2ccccc12)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-phthalazin-1-ylsulfanylacetamide?
The InChIKey is VHBDXPLMHNJKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-15(18-13-7-2-1-3-8-13)11-21-16-14-9-5-4-6-12(14)10-17-19-16/h1-10H,11H2,(H,18,20).
What are the key properties of N-phenyl-2-phthalazin-1-ylsulfanylacetamide?
N-phenyl-2-phthalazin-1-ylsulfanylacetamide has a molecular weight of 295.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-phthalazin-1-ylsulfanylacetamide is sourced from PubChem (CID 6402832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).