3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide

C15H15BrN2OS — CID 79533355

IUPAC3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide
SMILESNc1ccc(Br)cc1SCCC(=O)Nc1ccccc1
InChIInChI=1S/C15H15BrN2OS/c16-11-6-7-13(17)14(10-11)20-9-8-15(19)18-12-4-2-1-3-5-12/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyRYJDOXPEDNJZIL-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.15
Rot. Bonds5

About 3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide

3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide (PubChem CID 79533355) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide
PubChem CID79533355
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide
SMILESNc1ccc(Br)cc1SCCC(=O)Nc1ccccc1
InChIInChI=1S/C15H15BrN2OS/c16-11-6-7-13(17)14(10-11)20-9-8-15(19)18-12-4-2-1-3-5-12/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyRYJDOXPEDNJZIL-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide?
The IUPAC name of 3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide (CID 79533355) is 3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for 3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide is Nc1ccc(Br)cc1SCCC(=O)Nc1ccccc1.
What is the InChIKey of 3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide?
The InChIKey is RYJDOXPEDNJZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c16-11-6-7-13(17)14(10-11)20-9-8-15(19)18-12-4-2-1-3-5-12/h1-7,10H,8-9,17H2,(H,18,19).
What are the key properties of 3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide?
3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide has a molecular weight of 351.27 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 79533355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).