N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide

C15H15ClN2OS — CID 28555537

IUPACN-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESNc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2OS/c16-11-1-7-14(8-2-11)20-10-9-15(19)18-13-5-3-12(17)4-6-13/h1-8H,9-10,17H2,(H,18,19)
InChIKeyJFVOHYXYMNHGNO-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.04
Rot. Bonds5

About N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide

N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 28555537) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
PubChem CID28555537
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESNc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2OS/c16-11-1-7-14(8-2-11)20-10-9-15(19)18-13-5-3-12(17)4-6-13/h1-8H,9-10,17H2,(H,18,19)
InChIKeyJFVOHYXYMNHGNO-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide 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-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide
CID 95778337
N-(4-aminophenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 28534611
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257472
N-(4-acetylphenyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272367
3-(4-aminophenyl)sulfanylpropanehydrazide
CID 63580911
butyl 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 7927019
N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086497
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140977
3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 23973484
3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide
CID 43430717

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide (CID 28555537) is N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide is Nc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is JFVOHYXYMNHGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-11-1-7-14(8-2-11)20-10-9-15(19)18-13-5-3-12(17)4-6-13/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide 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 N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 28555537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).