N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide

C19H17N3OS — CID 7502583

IUPACN-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)NCc1ccccc1
InChIInChI=1S/C19H17N3OS/c23-18(20-13-15-7-3-1-4-8-15)14-24-19-12-11-17(21-22-19)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,23)
InChIKeyONXBUASZNJQKTI-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.55
Rot. Bonds6

About N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide

N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7502583) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
PubChem CID7502583
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)NCc1ccccc1
InChIInChI=1S/C19H17N3OS/c23-18(20-13-15-7-3-1-4-8-15)14-24-19-12-11-17(21-22-19)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,23)
InChIKeyONXBUASZNJQKTI-UHFFFAOYSA-N
XLogP3.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 6402505
N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 42763706
N-[(2-methoxyphenyl)methyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936649
N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 42663314
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 53073932
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8541401
N-[(4-fluorophenyl)methyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502709
N-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8543095
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936648
N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936695
N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 42763708

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (CID 7502583) is N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-c2ccccc2)nn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is ONXBUASZNJQKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c23-18(20-13-15-7-3-1-4-8-15)14-24-19-12-11-17(21-22-19)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,23).
What are the key properties of N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 335.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7502583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).