N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

C19H18N4OS — CID 7222440

IUPACN-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1
InChIInChI=1S/C19H18N4OS/c1-2-14-5-7-16(8-6-14)21-18(24)13-25-19-10-9-17(22-23-19)15-4-3-11-20-12-15/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyJGANVKSHGAYNGK-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.83
Rot. Bonds6

About N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7222440) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7222440
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1
InChIInChI=1S/C19H18N4OS/c1-2-14-5-7-16(8-6-14)21-18(24)13-25-19-10-9-17(22-23-19)15-4-3-11-20-12-15/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyJGANVKSHGAYNGK-UHFFFAOYSA-N
XLogP3.83
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (CID 7222440) is N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is CCc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is JGANVKSHGAYNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-2-14-5-7-16(8-6-14)21-18(24)13-25-19-10-9-17(22-23-19)15-4-3-11-20-12-15/h3-12H,2,13H2,1H3,(H,21,24).
What are the key properties of N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 350.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7222440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).