2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide

C13H11F2N3OS — CID 43301917

IUPAC2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C13H11F2N3OS/c14-10-3-1-8(5-11(10)15)18-13(19)7-20-9-2-4-12(16)17-6-9/h1-6H,7H2,(H2,16,17)(H,18,19)
InChIKeyTUCFGENTDDHUQJ-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.67
Rot. Bonds4

About 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide

2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide (PubChem CID 43301917) has the molecular formula C13H11F2N3OS and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
PubChem CID43301917
Molecular FormulaC13H11F2N3OS
Molecular Weight295.31 g/mol
Exact Mass295.06
IUPAC Name2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C13H11F2N3OS/c14-10-3-1-8(5-11(10)15)18-13(19)7-20-9-2-4-12(16)17-6-9/h1-6H,7H2,(H2,16,17)(H,18,19)
InChIKeyTUCFGENTDDHUQJ-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 43301918
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 43250054
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(4-propylphenyl)acetamide
CID 43301596
N-(3,4-difluorophenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 26560428
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(2,4-dibromophenyl)acetamide
CID 43302037
N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide
CID 27772603
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128105
2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128069
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
CID 43302063

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide (CID 43301917) is 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide is Nc1ccc(SCC(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is TUCFGENTDDHUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3OS/c14-10-3-1-8(5-11(10)15)18-13(19)7-20-9-2-4-12(16)17-6-9/h1-6H,7H2,(H2,16,17)(H,18,19).
What are the key properties of 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 295.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 43301917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).