N-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide

C18H17N3O2S — CID 6401677

IUPACN-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(C)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-15-5-3-4-6-16(15)18(21-20-12)24-11-17(22)19-13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyUJVHIZXVRJTTQH-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.68
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide

N-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide (PubChem CID 6401677) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
PubChem CID6401677
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(C)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-15-5-3-4-6-16(15)18(21-20-12)24-11-17(22)19-13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyUJVHIZXVRJTTQH-UHFFFAOYSA-N
XLogP3.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide (CID 6401677) is N-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2nnc(C)c3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide?
The InChIKey is UJVHIZXVRJTTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-15-5-3-4-6-16(15)18(21-20-12)24-11-17(22)19-13-7-9-14(23-2)10-8-13/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide?
N-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide has a molecular weight of 339.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide is sourced from PubChem (CID 6401677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).