N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide

C20H19FN4OS — CID 53073983

IUPACN-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(CNc2ccc(SCC(=O)Nc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C20H19FN4OS/c1-14-2-4-15(5-3-14)12-22-18-10-11-20(25-24-18)27-13-19(26)23-17-8-6-16(21)7-9-17/h2-11H,12-13H2,1H3,(H,22,24)(H,23,26)
InChIKeyWFKIVHNXSWONPR-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.27
Rot. Bonds7

About N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide

N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide (PubChem CID 53073983) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
PubChem CID53073983
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC NameN-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
SMILESCc1ccc(CNc2ccc(SCC(=O)Nc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C20H19FN4OS/c1-14-2-4-15(5-3-14)12-22-18-10-11-20(25-24-18)27-13-19(26)23-17-8-6-16(21)7-9-17/h2-11H,12-13H2,1H3,(H,22,24)(H,23,26)
InChIKeyWFKIVHNXSWONPR-UHFFFAOYSA-N
XLogP4.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 53073966
N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073997
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 53073932
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide
CID 53073922
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
ethyl 4-[[2-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 53074042
ethyl 4-[[2-[6-(benzylamino)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 53073910
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N-[(3-methoxyphenyl)methyl]-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073991
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113012140
N-(3-fluorophenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542501
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide (CID 53073983) is N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide is Cc1ccc(CNc2ccc(SCC(=O)Nc3ccc(F)cc3)nn2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is WFKIVHNXSWONPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c1-14-2-4-15(5-3-14)12-22-18-10-11-20(25-24-18)27-13-19(26)23-17-8-6-16(21)7-9-17/h2-11H,12-13H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 382.46 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 53073983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).