N-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide

C20H20N4O2S — CID 7207478

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1ccc(CCNC(=O)CSc2ccc(-c3ccncc3)nn2)cc1
InChIInChI=1S/C20H20N4O2S/c1-26-17-4-2-15(3-5-17)8-13-22-19(25)14-27-20-7-6-18(23-24-20)16-9-11-21-12-10-16/h2-7,9-12H,8,13-14H2,1H3,(H,22,25)
InChIKeyZNEVLUFYOLSDQI-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.00
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207478) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207478
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1ccc(CCNC(=O)CSc2ccc(-c3ccncc3)nn2)cc1
InChIInChI=1S/C20H20N4O2S/c1-26-17-4-2-15(3-5-17)8-13-22-19(25)14-27-20-7-6-18(23-24-20)16-9-11-21-12-10-16/h2-7,9-12H,8,13-14H2,1H3,(H,22,25)
InChIKeyZNEVLUFYOLSDQI-UHFFFAOYSA-N
XLogP3.00
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide (CID 7207478) is N-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide is COc1ccc(CCNC(=O)CSc2ccc(-c3ccncc3)nn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is ZNEVLUFYOLSDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-26-17-4-2-15(3-5-17)8-13-22-19(25)14-27-20-7-6-18(23-24-20)16-9-11-21-12-10-16/h2-7,9-12H,8,13-14H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 380.47 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).