N-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

C19H17N5O2S — CID 7207356

IUPACN-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)c1
InChIInChI=1S/C19H17N5O2S/c1-13(25)21-15-5-2-6-16(10-15)22-18(26)12-27-19-8-7-17(23-24-19)14-4-3-9-20-11-14/h2-11H,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyCHVGKMBLOXGXOE-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.23
Rot. Bonds6

About N-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

N-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207356) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207356
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)c1
InChIInChI=1S/C19H17N5O2S/c1-13(25)21-15-5-2-6-16(10-15)22-18(26)12-27-19-8-7-17(23-24-19)14-4-3-9-20-11-14/h2-11H,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyCHVGKMBLOXGXOE-UHFFFAOYSA-N
XLogP3.23
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (CID 7207356) is N-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is CC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is CHVGKMBLOXGXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-13(25)21-15-5-2-6-16(10-15)22-18(26)12-27-19-8-7-17(23-24-19)14-4-3-9-20-11-14/h2-11H,12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
N-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 379.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).