2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide

C13H10Cl3N3OS — CID 43299532

IUPAC2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESNc1cnccc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3N3OS/c14-7-3-9(16)11(4-8(7)15)19-13(20)6-21-12-1-2-18-5-10(12)17/h1-5H,6,17H2,(H,19,20)
InChIKeyGQKHVAUQORMDQC-UHFFFAOYSA-N
MW362.67 g/mol
LogP4.35
Rot. Bonds4

About 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 43299532) has the molecular formula C13H10Cl3N3OS and a molecular weight of 362.67 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID43299532
Molecular FormulaC13H10Cl3N3OS
Molecular Weight362.67 g/mol
Exact Mass360.96
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESNc1cnccc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3N3OS/c14-7-3-9(16)11(4-8(7)15)19-13(20)6-21-12-1-2-18-5-10(12)17/h1-5H,6,17H2,(H,19,20)
InChIKeyGQKHVAUQORMDQC-UHFFFAOYSA-N
XLogP4.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.67
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 43299833
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 43299886
2-(4-aminophenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 43298970
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 43299634
N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide
CID 43299698
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-(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
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
CID 43299948
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 43299918
2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4500902

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide (CID 43299532) is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide is Nc1cnccc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is GQKHVAUQORMDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3OS/c14-7-3-9(16)11(4-8(7)15)19-13(20)6-21-12-1-2-18-5-10(12)17/h1-5H,6,17H2,(H,19,20).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 362.67 g/mol, XLogP of 4.35, 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-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 43299532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).