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

C14H13Br2N3OS — CID 43299634

IUPAC2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CSc2ccncc2N)c(Br)c1
InChIInChI=1S/C14H13Br2N3OS/c1-8-4-9(15)14(10(16)5-8)19-13(20)7-21-12-2-3-18-6-11(12)17/h2-6H,7,17H2,1H3,(H,19,20)
InChIKeyGRZLJQBLJTUUCK-UHFFFAOYSA-N
MW431.15 g/mol
LogP4.23
Rot. Bonds4

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

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide (PubChem CID 43299634) has the molecular formula C14H13Br2N3OS and a molecular weight of 431.15 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
PubChem CID43299634
Molecular FormulaC14H13Br2N3OS
Molecular Weight431.15 g/mol
Exact Mass428.91
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CSc2ccncc2N)c(Br)c1
InChIInChI=1S/C14H13Br2N3OS/c1-8-4-9(15)14(10(16)5-8)19-13(20)7-21-12-2-3-18-6-11(12)17/h2-6H,7,17H2,1H3,(H,19,20)
InChIKeyGRZLJQBLJTUUCK-UHFFFAOYSA-N
XLogP4.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.15
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 43299532
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 43299915
2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide
CID 43300145
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 43299886
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 43299833
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 43299575
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43299864
N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide
CID 116813465
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 112815585
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43299918
methyl 2-[[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]amino]-4-methylpentanoate
CID 43299696
2-[(3-amino-4-pyridinyl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 43299539

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide (CID 43299634) is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide is Cc1cc(Br)c(NC(=O)CSc2ccncc2N)c(Br)c1.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide?
The InChIKey is GRZLJQBLJTUUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3OS/c1-8-4-9(15)14(10(16)5-8)19-13(20)7-21-12-2-3-18-6-11(12)17/h2-6H,7,17H2,1H3,(H,19,20).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide?
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide has a molecular weight of 431.15 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide is sourced from PubChem (CID 43299634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).