2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide

C13H10Br3N3OS — CID 43301080

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nc1
InChIInChI=1S/C13H10Br3N3OS/c14-7-3-9(15)13(10(16)4-7)19-11(20)6-21-12-2-1-8(17)5-18-12/h1-5H,6,17H2,(H,19,20)
InChIKeyUCCFDTZQDCNOOC-UHFFFAOYSA-N
MW496.02 g/mol
LogP4.68
Rot. Bonds4

About 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide

2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide (PubChem CID 43301080) has the molecular formula C13H10Br3N3OS and a molecular weight of 496.02 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide
PubChem CID43301080
Molecular FormulaC13H10Br3N3OS
Molecular Weight496.02 g/mol
Exact Mass492.81
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nc1
InChIInChI=1S/C13H10Br3N3OS/c14-7-3-9(15)13(10(16)4-7)19-11(20)6-21-12-2-1-8(17)5-18-12/h1-5H,6,17H2,(H,19,20)
InChIKeyUCCFDTZQDCNOOC-UHFFFAOYSA-N
XLogP4.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.02
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 43301243
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 112815585
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 43301227
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(3-ethylphenyl)acetamide
CID 43301325
2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 43300974
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43301260
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 43301222
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide
CID 1423262
N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 124595289
N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 1238973
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 43300903
[2-oxo-2-(2,4,6-tribromoanilino)ethyl] carbamimidothioate;hydrochloride
CID 44783898

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide (CID 43301080) is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide is Nc1ccc(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nc1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide?
The InChIKey is UCCFDTZQDCNOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br3N3OS/c14-7-3-9(15)13(10(16)4-7)19-11(20)6-21-12-2-1-8(17)5-18-12/h1-5H,6,17H2,(H,19,20).
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide?
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide has a molecular weight of 496.02 g/mol, XLogP of 4.68, 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-(2,4,6-tribromophenyl)acetamide is sourced from PubChem (CID 43301080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).