3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide

C13H18ClNOS2 — CID 145350303

IUPAC3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide
SMILESCSSCC(C)NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNOS2/c1-10(9-18-17-2)15-13(16)8-5-11-3-6-12(14)7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)
InChIKeyOLEMZEQMOWQYFH-UHFFFAOYSA-N
MW303.88 g/mol
LogP3.79
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide

3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide (PubChem CID 145350303) has the molecular formula C13H18ClNOS2 and a molecular weight of 303.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide
PubChem CID145350303
Molecular FormulaC13H18ClNOS2
Molecular Weight303.88 g/mol
Exact Mass303.05
IUPAC Name3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide
SMILESCSSCC(C)NC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNOS2/c1-10(9-18-17-2)15-13(16)8-5-11-3-6-12(14)7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)
InChIKeyOLEMZEQMOWQYFH-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]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-(4-chlorophenyl)-N-pentan-3-ylpropanamide
CID 94500233
3-(4-chlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 133220664
3-[3-(4-propan-2-ylphenyl)propanoylamino]butanoic acid
CID 119221299
3-[3-(4-chlorophenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218761
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574334
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504
3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 43035582
3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane
CID 143571262
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758
3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 110306883

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide (CID 145350303) is 3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide is CSSCC(C)NC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide?
The InChIKey is OLEMZEQMOWQYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS2/c1-10(9-18-17-2)15-13(16)8-5-11-3-6-12(14)7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide?
3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide has a molecular weight of 303.88 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-(methyldisulfanyl)propan-2-yl]propanamide is sourced from PubChem (CID 145350303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).