N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide

C15H21ClN2OS — CID 60886574

IUPACN-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide
SMILESNc1cc(NC(=O)CCSC2CCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2OS/c16-13-7-6-11(10-14(13)17)18-15(19)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2,(H,18,19)
InChIKeyZZJREGFPLJEDCV-UHFFFAOYSA-N
MW312.87 g/mol
LogP4.32
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide

N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide (PubChem CID 60886574) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide
PubChem CID60886574
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC NameN-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide
SMILESNc1cc(NC(=O)CCSC2CCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2OS/c16-13-7-6-11(10-14(13)17)18-15(19)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2,(H,18,19)
InChIKeyZZJREGFPLJEDCV-UHFFFAOYSA-N
XLogP4.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide 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-(3-amino-4-chlorophenyl)-2-cyclopentylsulfanylacetamide
CID 62057025
N-(3-amino-4-chlorophenyl)-3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62720451
N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886349
3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide
CID 23804460
N-(3-amino-4-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617463
N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16794185
3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25044457
N-(3-amino-4-chlorophenyl)-3-pentylsulfanylpropanamide
CID 107748453
N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide
CID 43080187
3-cyclohexylsulfanyl-N-(4-methoxyphenyl)propanamide
CID 23775391
N-(3-amino-4-chlorophenyl)-3-(2-methylsulfonylethylsulfanyl)propanamide
CID 63659554
N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61443934

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide (CID 60886574) is N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide is Nc1cc(NC(=O)CCSC2CCCCC2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide?
The InChIKey is ZZJREGFPLJEDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c16-13-7-6-11(10-14(13)17)18-15(19)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide?
N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide has a molecular weight of 312.87 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide is sourced from PubChem (CID 60886574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).