N-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

C19H18N4O3S — CID 20900486

IUPACN-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccc(-c3ccccn3)nn2)c1
InChIInChI=1S/C19H18N4O3S/c1-25-13-6-8-17(26-2)16(11-13)21-18(24)12-27-19-9-7-15(22-23-19)14-5-3-4-10-20-14/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyDNDGGICDSCXFET-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.29
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 20900486) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID20900486
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccc(-c3ccccn3)nn2)c1
InChIInChI=1S/C19H18N4O3S/c1-25-13-6-8-17(26-2)16(11-13)21-18(24)12-27-19-9-7-15(22-23-19)14-5-3-4-10-20-14/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyDNDGGICDSCXFET-UHFFFAOYSA-N
XLogP3.29
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (CID 20900486) is N-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2ccc(-c3ccccn3)nn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is DNDGGICDSCXFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-25-13-6-8-17(26-2)16(11-13)21-18(24)12-27-19-9-7-15(22-23-19)14-5-3-4-10-20-14/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 382.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 20900486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).