3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide

C15H14Cl2N2OS — CID 43248841

IUPAC3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide
SMILESNc1ccccc1SCCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2OS/c16-10-4-3-5-11(17)15(10)19-14(20)8-9-21-13-7-2-1-6-12(13)18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyLDAHRPRYZGZWSC-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.70
Rot. Bonds5

About 3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide

3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide (PubChem CID 43248841) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is 3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide
PubChem CID43248841
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide
SMILESNc1ccccc1SCCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2OS/c16-10-4-3-5-11(17)15(10)19-14(20)8-9-21-13-7-2-1-6-12(13)18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyLDAHRPRYZGZWSC-UHFFFAOYSA-N
XLogP4.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43249034
3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28714106
N-(4-aminophenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 28534611
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 43300903
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 43213345
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 43213338
N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 36823003
3-[3-(2,6-dichloroanilino)-3-oxopropyl]sulfanylpropanoic acid
CID 43241674
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N-(2-amino-6-chlorophenyl)-3-phenylpropanamide
CID 62084084
2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43251034

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide (CID 43248841) is 3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide is Nc1ccccc1SCCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is LDAHRPRYZGZWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c16-10-4-3-5-11(17)15(10)19-14(20)8-9-21-13-7-2-1-6-12(13)18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide?
3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 341.26 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 43248841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).