2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C20H16F3N3OS — CID 6402505

IUPAC2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3OS/c21-20(22,23)16-8-4-5-14(11-16)12-24-18(27)13-28-19-10-9-17(25-26-19)15-6-2-1-3-7-15/h1-11H,12-13H2,(H,24,27)
InChIKeyCIPSIZNBWVLTTR-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.57
Rot. Bonds6

About 2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 6402505) has the molecular formula C20H16F3N3OS and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID6402505
Molecular FormulaC20H16F3N3OS
Molecular Weight403.43 g/mol
Exact Mass403.10
IUPAC Name2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3OS/c21-20(22,23)16-8-4-5-14(11-16)12-24-18(27)13-28-19-10-9-17(25-26-19)15-6-2-1-3-7-15/h1-11H,12-13H2,(H,24,27)
InChIKeyCIPSIZNBWVLTTR-UHFFFAOYSA-N
XLogP4.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583
2-pyrimidin-2-ylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 4271129
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8541401
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 582245
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 42763706
N-[[3-(phenoxymethyl)phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55903101
3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 8699888
N-[(4-fluorophenyl)methyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502709
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 11474857
2-(2-phenylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871382
N-[(2-methoxyphenyl)methyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936649

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 6402505) is 2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is O=C(CSc1ccc(-c2ccccc2)nn1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is CIPSIZNBWVLTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3OS/c21-20(22,23)16-8-4-5-14(11-16)12-24-18(27)13-28-19-10-9-17(25-26-19)15-6-2-1-3-7-15/h1-11H,12-13H2,(H,24,27).
What are the key properties of 2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 403.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 6402505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).