N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide

C20H18FN3O4S2 — CID 50838911

IUPACN-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(S(=O)(=O)c3cccc(F)c3)nn2)cc1
InChIInChI=1S/C20H18FN3O4S2/c1-2-28-16-8-6-15(7-9-16)22-18(25)13-29-19-10-11-20(24-23-19)30(26,27)17-5-3-4-14(21)12-17/h3-12H,2,13H2,1H3,(H,22,25)
InChIKeyMABVOQREYYPWSP-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.58
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide

N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide (PubChem CID 50838911) has the molecular formula C20H18FN3O4S2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide
PubChem CID50838911
Molecular FormulaC20H18FN3O4S2
Molecular Weight447.51 g/mol
Exact Mass447.07
IUPAC NameN-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc(S(=O)(=O)c3cccc(F)c3)nn2)cc1
InChIInChI=1S/C20H18FN3O4S2/c1-2-28-16-8-6-15(7-9-16)22-18(25)13-29-19-10-11-20(24-23-19)30(26,27)17-5-3-4-14(21)12-17/h3-12H,2,13H2,1H3,(H,22,25)
InChIKeyMABVOQREYYPWSP-UHFFFAOYSA-N
XLogP3.58
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide
CID 50838775
2-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]sulfanyl-N-(4-methylsulfonylphenyl)acetamide
CID 50838874
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 53074112
N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
CID 42138506
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623
2-(3-chlorophenyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 2949616
(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709401
2-(4-ethoxyphenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9404160
N-(3-fluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502874
N-(2,5-dimethoxyphenyl)-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 86810334
2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide (CID 50838911) is N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide is CCOc1ccc(NC(=O)CSc2ccc(S(=O)(=O)c3cccc(F)c3)nn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide?
The InChIKey is MABVOQREYYPWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S2/c1-2-28-16-8-6-15(7-9-16)22-18(25)13-29-19-10-11-20(24-23-19)30(26,27)17-5-3-4-14(21)12-17/h3-12H,2,13H2,1H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide?
N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide has a molecular weight of 447.51 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[6-(3-fluorophenyl)sulfonylpyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 50838911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).