2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide

C13H13N3OS — CID 43300867

IUPAC2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide
SMILESNc1cccnc1SCC(=O)Nc1ccccc1
InChIInChI=1S/C13H13N3OS/c14-11-7-4-8-15-13(11)18-9-12(17)16-10-5-2-1-3-6-10/h1-8H,9,14H2,(H,16,17)
InChIKeyKJKKQEWFRNOSDB-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.39
Rot. Bonds4

About 2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide

2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide (PubChem CID 43300867) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide
PubChem CID43300867
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide
SMILESNc1cccnc1SCC(=O)Nc1ccccc1
InChIInChI=1S/C13H13N3OS/c14-11-7-4-8-15-13(11)18-9-12(17)16-10-5-2-1-3-6-10/h1-8H,9,14H2,(H,16,17)
InChIKeyKJKKQEWFRNOSDB-UHFFFAOYSA-N
XLogP2.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-2-pyridinyl)sulfanyl]-N-prop-2-enylacetamide
CID 43300833
2-[(3-amino-2-pyridinyl)sulfanyl]-N-butan-2-ylacetamide
CID 43300815
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43300619
2-[(4-aminopyrimidin-2-yl)methylsulfanyl]-N-phenylacetamide
CID 100723955
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 106679046
2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 4249570
2-(2-aminophenyl)sulfanyl-N-(4-hydroxyphenyl)acetamide
CID 3482565
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenylacetamide
CID 20941845
2-[(3-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-methylacetamide
CID 43309761
2-[(3-amino-2-pyridinyl)sulfanyl]-1-(azepan-1-yl)ethanone
CID 43300790
potassium 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 72703544

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide (CID 43300867) is 2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide is Nc1cccnc1SCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide?
The InChIKey is KJKKQEWFRNOSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-11-7-4-8-15-13(11)18-9-12(17)16-10-5-2-1-3-6-10/h1-8H,9,14H2,(H,16,17).
What are the key properties of 2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide?
2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide has a molecular weight of 259.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 43300867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).