N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide

C21H20N4O2S — CID 42138315

IUPACN-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2ccccc2)nn1)NCCc1ccccc1
InChIInChI=1S/C21H20N4O2S/c26-19(22-14-13-16-7-3-1-4-8-16)15-28-20-12-11-18(24-25-20)23-21(27)17-9-5-2-6-10-17/h1-12H,13-15H2,(H,22,26)(H,23,24,27)
InChIKeyXONMQIVJLQRBFN-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.18
Rot. Bonds8

About N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide

N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide (PubChem CID 42138315) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide
PubChem CID42138315
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2ccccc2)nn1)NCCc1ccccc1
InChIInChI=1S/C21H20N4O2S/c26-19(22-14-13-16-7-3-1-4-8-16)15-28-20-12-11-18(24-25-20)23-21(27)17-9-5-2-6-10-17/h1-12H,13-15H2,(H,22,26)(H,23,24,27)
InChIKeyXONMQIVJLQRBFN-UHFFFAOYSA-N
XLogP3.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
CID 42138334
2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 8699651
N-(2-phenylethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 17440632
4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042326
4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042323
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
N-[(1R)-1-[4-ethyl-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 126144854
2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 7672932
3-methyl-N-[5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 7190982
N-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
CID 42139322
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 53073932
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide?
The IUPAC name of N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide (CID 42138315) is N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide.
What is the SMILES notation for N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide?
The canonical SMILES for N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide is O=C(CSc1ccc(NC(=O)c2ccccc2)nn1)NCCc1ccccc1.
What is the InChIKey of N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide?
The InChIKey is XONMQIVJLQRBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c26-19(22-14-13-16-7-3-1-4-8-16)15-28-20-12-11-18(24-25-20)23-21(27)17-9-5-2-6-10-17/h1-12H,13-15H2,(H,22,26)(H,23,24,27).
What are the key properties of N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide?
N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide has a molecular weight of 392.48 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide is sourced from PubChem (CID 42138315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).