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

C19H18N4O2S — CID 7222457

IUPACN-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1
InChIInChI=1S/C19H18N4O2S/c1-2-25-16-7-5-15(6-8-16)21-18(24)13-26-19-10-9-17(22-23-19)14-4-3-11-20-12-14/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyUIQWKDRMFOEZSK-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.67
Rot. Bonds7

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

N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7222457) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7222457
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1
InChIInChI=1S/C19H18N4O2S/c1-2-25-16-7-5-15(6-8-16)21-18(24)13-26-19-10-9-17(22-23-19)14-4-3-11-20-12-14/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyUIQWKDRMFOEZSK-UHFFFAOYSA-N
XLogP3.67
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (CID 7222457) is N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is CCOc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is UIQWKDRMFOEZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-2-25-16-7-5-15(6-8-16)21-18(24)13-26-19-10-9-17(22-23-19)14-4-3-11-20-12-14/h3-12H,2,13H2,1H3,(H,21,24).
What are the key properties of N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 366.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7222457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).