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

C15H14Cl2N4O2S — CID 42139255

IUPACN-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H14Cl2N4O2S/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)
InChIKeyVBFIAEDSHQMQAL-UHFFFAOYSA-N
MW385.28 g/mol
LogP3.86
Rot. Bonds6

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

N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide (PubChem CID 42139255) has the molecular formula C15H14Cl2N4O2S and a molecular weight of 385.28 g/mol. Its IUPAC name is N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
PubChem CID42139255
Molecular FormulaC15H14Cl2N4O2S
Molecular Weight385.28 g/mol
Exact Mass384.02
IUPAC NameN-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H14Cl2N4O2S/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)
InChIKeyVBFIAEDSHQMQAL-UHFFFAOYSA-N
XLogP3.86
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
CID 42139235
N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936797
2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
N-(3,4-dichlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
CID 17059932
N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
CID 71828990
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-[4-(3,4-dichloroanilino)phenyl]propanamide
CID 112989591
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-(3,4-dichlorophenyl)-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6501061
N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936785
N-[6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
CID 42138506

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
The IUPAC name of N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide (CID 42139255) is N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
The InChIKey is VBFIAEDSHQMQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2S/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-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide?
N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide has a molecular weight of 385.28 g/mol, XLogP of 3.86, 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-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide is sourced from PubChem (CID 42139255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).