N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

C16H11F2N3OS2 — CID 20900460

IUPACN-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2cccs2)nn1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H11F2N3OS2/c17-10-3-4-12(11(18)8-10)19-15(22)9-24-16-6-5-13(20-21-16)14-2-1-7-23-14/h1-8H,9H2,(H,19,22)
InChIKeyAFNRTCSCJODTDH-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.21
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 20900460) has the molecular formula C16H11F2N3OS2 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID20900460
Molecular FormulaC16H11F2N3OS2
Molecular Weight363.41 g/mol
Exact Mass363.03
IUPAC NameN-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2cccs2)nn1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H11F2N3OS2/c17-10-3-4-12(11(18)8-10)19-15(22)9-24-16-6-5-13(20-21-16)14-2-1-7-23-14/h1-8H,9H2,(H,19,22)
InChIKeyAFNRTCSCJODTDH-UHFFFAOYSA-N
XLogP4.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19725907
N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900448
N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7688093
N-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900437
N-(2,4-difluorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 18562224
N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900462
N-(3,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900443
N-(2,4-difluorophenyl)-2-[(2-thiophen-2-yl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
CID 50800989
1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
CID 20900471
1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
CID 12006152
1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
CID 30288651
N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 27461214

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (CID 20900460) is N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-c2cccs2)nn1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is AFNRTCSCJODTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS2/c17-10-3-4-12(11(18)8-10)19-15(22)9-24-16-6-5-13(20-21-16)14-2-1-7-23-14/h1-8H,9H2,(H,19,22).
What are the key properties of N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 363.41 g/mol, XLogP of 4.21, 5 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-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 20900460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).