N-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

C19H15F2N3O2S — CID 7502873

IUPACN-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1cccc(-c2ccc(SCC(=O)Nc3ccc(F)cc3F)nn2)c1
InChIInChI=1S/C19H15F2N3O2S/c1-26-14-4-2-3-12(9-14)16-7-8-19(24-23-16)27-11-18(25)22-17-6-5-13(20)10-15(17)21/h2-10H,11H2,1H3,(H,22,25)
InChIKeyJSDNLAJQNDJLJN-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.16
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

N-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7502873) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7502873
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC NameN-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1cccc(-c2ccc(SCC(=O)Nc3ccc(F)cc3F)nn2)c1
InChIInChI=1S/C19H15F2N3O2S/c1-26-14-4-2-3-12(9-14)16-7-8-19(24-23-16)27-11-18(25)22-17-6-5-13(20)10-15(17)21/h2-10H,11H2,1H3,(H,22,25)
InChIKeyJSDNLAJQNDJLJN-UHFFFAOYSA-N
XLogP4.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7502873) is N-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is COc1cccc(-c2ccc(SCC(=O)Nc3ccc(F)cc3F)nn2)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is JSDNLAJQNDJLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c1-26-14-4-2-3-12(9-14)16-7-8-19(24-23-16)27-11-18(25)22-17-6-5-13(20)10-15(17)21/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of N-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 387.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7502873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).