N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide

C15H14F2N4O2S — CID 42139235

IUPACN-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(SCC(=O)Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C15H14F2N4O2S/c1-2-13(22)19-12-5-6-15(21-20-12)24-8-14(23)18-9-3-4-10(16)11(17)7-9/h3-7H,2,8H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyROTQFMNASOBLTE-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.83
Rot. Bonds6

About N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide

N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide (PubChem CID 42139235) has the molecular formula C15H14F2N4O2S and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
PubChem CID42139235
Molecular FormulaC15H14F2N4O2S
Molecular Weight352.37 g/mol
Exact Mass352.08
IUPAC NameN-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(SCC(=O)Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C15H14F2N4O2S/c1-2-13(22)19-12-5-6-15(21-20-12)24-8-14(23)18-9-3-4-10(16)11(17)7-9/h3-7H,2,8H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyROTQFMNASOBLTE-UHFFFAOYSA-N
XLogP2.83
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
CID 42139255
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-(3,4-difluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206206
N-(3,4-difluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222501
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
N-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-2-fluorobenzamide
CID 42139057
N-(3-fluoro-4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541133
N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
CID 42138506
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 27045873
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 43301917
N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073983
N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
The IUPAC name of N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide (CID 42139235) is N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(SCC(=O)Nc2ccc(F)c(F)c2)nn1.
What is the InChIKey of N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
The InChIKey is ROTQFMNASOBLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2S/c1-2-13(22)19-12-5-6-15(21-20-12)24-8-14(23)18-9-3-4-10(16)11(17)7-9/h3-7H,2,8H2,1H3,(H,18,23)(H,19,20,22).
What are the key properties of N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide has a molecular weight of 352.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide is sourced from PubChem (CID 42139235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).