N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide

C16H19N3O2S — CID 53154037

IUPACN-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide
SMILESCCSc1ccc(-c2cccc(NC(=O)CCOC)c2)nn1
InChIInChI=1S/C16H19N3O2S/c1-3-22-16-8-7-14(18-19-16)12-5-4-6-13(11-12)17-15(20)9-10-21-2/h4-8,11H,3,9-10H2,1-2H3,(H,17,20)
InChIKeyWCOJNFAYKIURHH-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.23
Rot. Bonds7

About N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide

N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide (PubChem CID 53154037) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide
PubChem CID53154037
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide
SMILESCCSc1ccc(-c2cccc(NC(=O)CCOC)c2)nn1
InChIInChI=1S/C16H19N3O2S/c1-3-22-16-8-7-14(18-19-16)12-5-4-6-13(11-12)17-15(20)9-10-21-2/h4-8,11H,3,9-10H2,1-2H3,(H,17,20)
InChIKeyWCOJNFAYKIURHH-UHFFFAOYSA-N
XLogP3.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-5-methylsulfanylbenzamide
CID 53154034
N-(3-fluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502874
N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide
CID 14280296
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 7502877
N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide
CID 70804281
N-(3-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502695
N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxypropanamide
CID 91012537
N-(3-fluorophenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542501
N-(1,3-benzodioxol-5-yl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502861
N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206083

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide?
The IUPAC name of N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide (CID 53154037) is N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide.
What is the SMILES notation for N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide?
The canonical SMILES for N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide is CCSc1ccc(-c2cccc(NC(=O)CCOC)c2)nn1.
What is the InChIKey of N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide?
The InChIKey is WCOJNFAYKIURHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-22-16-8-7-14(18-19-16)12-5-4-6-13(11-12)17-15(20)9-10-21-2/h4-8,11H,3,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide?
N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide has a molecular weight of 317.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-3-methoxypropanamide is sourced from PubChem (CID 53154037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).