3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide

C14H13Cl2N3OS — CID 43300903

IUPAC3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
SMILESNc1ccc(SCCC(=O)Nc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C14H13Cl2N3OS/c15-10-2-1-3-11(16)14(10)19-12(20)6-7-21-13-5-4-9(17)8-18-13/h1-5,8H,6-7,17H2,(H,19,20)
InChIKeyMFKYIOFTVBRZPK-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.09
Rot. Bonds5

About 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide

3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 43300903) has the molecular formula C14H13Cl2N3OS and a molecular weight of 342.25 g/mol. Its IUPAC name is 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
PubChem CID43300903
Molecular FormulaC14H13Cl2N3OS
Molecular Weight342.25 g/mol
Exact Mass341.02
IUPAC Name3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
SMILESNc1ccc(SCCC(=O)Nc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C14H13Cl2N3OS/c15-10-2-1-3-11(16)14(10)19-12(20)6-7-21-13-5-4-9(17)8-18-13/h1-5,8H,6-7,17H2,(H,19,20)
InChIKeyMFKYIOFTVBRZPK-UHFFFAOYSA-N
XLogP4.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide 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

N-(2,6-dichlorophenyl)-3-[(5-methyl-2-pyridinyl)sulfanyl]propanamide
CID 60561517
3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide
CID 43248841
2-(5-amino-2-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 107339031
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 43300904
3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28713241
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 43213345
2-[2-[(5-amino-2-pyridinyl)sulfanyl]ethyl]-3-chlorobenzoic acid
CID 69069332
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 43301243
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 43213338
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
2-(4-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43299333
3-[(5-amino-2-pyridinyl)sulfanyl]-N,N-dimethylpropanamide
CID 60962124

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide (CID 43300903) is 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide is Nc1ccc(SCCC(=O)Nc2c(Cl)cccc2Cl)nc1.
What is the InChIKey of 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is MFKYIOFTVBRZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3OS/c15-10-2-1-3-11(16)14(10)19-12(20)6-7-21-13-5-4-9(17)8-18-13/h1-5,8H,6-7,17H2,(H,19,20).
What are the key properties of 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide?
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 342.25 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 43300903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).