N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide

C20H19N3OS — CID 42663314

IUPACN-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCC(NC(=O)CSc1ccc(-c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C20H19N3OS/c1-15(16-8-4-2-5-9-16)21-19(24)14-25-20-13-12-18(22-23-20)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,21,24)
InChIKeyZXZUIRCHABFDIF-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.11
Rot. Bonds6

About N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide

N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (PubChem CID 42663314) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
PubChem CID42663314
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCC(NC(=O)CSc1ccc(-c2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C20H19N3OS/c1-15(16-8-4-2-5-9-16)21-19(24)14-25-20-13-12-18(22-23-20)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,21,24)
InChIKeyZXZUIRCHABFDIF-UHFFFAOYSA-N
XLogP4.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 42763706
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 46265783
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 92870156
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2192132
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2192131
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134007796
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936632
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (CID 42663314) is N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is CC(NC(=O)CSc1ccc(-c2ccccc2)nn1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is ZXZUIRCHABFDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-15(16-8-4-2-5-9-16)21-19(24)14-25-20-13-12-18(22-23-20)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,21,24).
What are the key properties of N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 349.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 42663314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).