3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide

C15H15ClN2OS — CID 43249034

IUPAC3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
SMILESNc1ccccc1SCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2OS/c16-11-4-3-5-12(10-11)18-15(19)8-9-20-14-7-2-1-6-13(14)17/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyUCCXQXKPNPFWAJ-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.04
Rot. Bonds5

About 3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide

3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide (PubChem CID 43249034) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
PubChem CID43249034
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
SMILESNc1ccccc1SCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2OS/c16-11-4-3-5-12(10-11)18-15(19)8-9-20-14-7-2-1-6-13(14)17/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyUCCXQXKPNPFWAJ-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)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

3-(2-amino-5-chlorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 79525427
3-(4-amino-2-fluorophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43303444
3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide
CID 43248841
N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 36823003
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
CID 51891452
3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide
CID 79533355
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033
N-(4-aminophenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 28534611
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380
N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768
N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 46304740

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide (CID 43249034) is 3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide is Nc1ccccc1SCCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide?
The InChIKey is UCCXQXKPNPFWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-11-4-3-5-12(10-11)18-15(19)8-9-20-14-7-2-1-6-13(14)17/h1-7,10H,8-9,17H2,(H,18,19).
What are the key properties of 3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide?
3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide has a molecular weight of 306.82 g/mol, XLogP of 4.04, 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-(3-chlorophenyl)propanamide is sourced from PubChem (CID 43249034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).