2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide

C15H17N3OS — CID 43301243

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1ccc(N)cn1
InChIInChI=1S/C15H17N3OS/c1-10-4-3-5-11(2)15(10)18-13(19)9-20-14-7-6-12(16)8-17-14/h3-8H,9,16H2,1-2H3,(H,18,19)
InChIKeySFHSSPRAVIMMCD-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.01
Rot. Bonds4

About 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide

2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 43301243) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID43301243
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1ccc(N)cn1
InChIInChI=1S/C15H17N3OS/c1-10-4-3-5-11(2)15(10)18-13(19)9-20-14-7-6-12(16)8-17-14/h3-8H,9,16H2,1-2H3,(H,18,19)
InChIKeySFHSSPRAVIMMCD-UHFFFAOYSA-N
XLogP3.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide
CID 43301080
2-(5-amino-2-pyridinyl)-N-(2,6-dimethylphenyl)acetamide
CID 107337469
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide
CID 43301325
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43301260
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 43300903
2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79128316
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 43250576
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 934007
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 43301227
2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 43300974
2-[4-[2-[(5-chloro-2-pyridinyl)sulfanyl]acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 112815732
[2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 2842840

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide (CID 43301243) is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CSc1ccc(N)cn1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is SFHSSPRAVIMMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-4-3-5-11(2)15(10)18-13(19)9-20-14-7-6-12(16)8-17-14/h3-8H,9,16H2,1-2H3,(H,18,19).
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 287.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 43301243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).