N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide

C12H9Br2N3OS — CID 1238973

IUPACN-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ncc(Br)cc1Br
InChIInChI=1S/C12H9Br2N3OS/c13-8-5-9(14)12(16-6-8)17-10(18)7-19-11-3-1-2-4-15-11/h1-6H,7H2,(H,16,17,18)
InChIKeyNNUIPUBGTBPGIY-UHFFFAOYSA-N
MW403.10 g/mol
LogP3.73
Rot. Bonds4

About N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide

N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 1238973) has the molecular formula C12H9Br2N3OS and a molecular weight of 403.10 g/mol. Its IUPAC name is N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID1238973
Molecular FormulaC12H9Br2N3OS
Molecular Weight403.10 g/mol
Exact Mass400.88
IUPAC NameN-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ncc(Br)cc1Br
InChIInChI=1S/C12H9Br2N3OS/c13-8-5-9(14)12(16-6-8)17-10(18)7-19-11-3-1-2-4-15-11/h1-6H,7H2,(H,16,17,18)
InChIKeyNNUIPUBGTBPGIY-UHFFFAOYSA-N
XLogP3.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.10
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,5-dibromo-2-pyridinyl)acetamide
CID 1118802
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide
CID 2464434
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dibromo-2-pyridinyl)acetamide
CID 4291947
N-(3,5-dibromo-2-pyridinyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3303190
2-pyridin-2-ylsulfanyl-N-(2,4,6-tribromo-3-methoxyphenyl)acetamide
CID 3488239
5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 708008
N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide (CID 1238973) is N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ncc(Br)cc1Br.
What is the InChIKey of N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is NNUIPUBGTBPGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3OS/c13-8-5-9(14)12(16-6-8)17-10(18)7-19-11-3-1-2-4-15-11/h1-6H,7H2,(H,16,17,18).
What are the key properties of N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide?
N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 403.10 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 1238973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).