3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide

C14H20Cl2N2OS2 — CID 154613272

IUPAC3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide
SMILESCN(C)CCSSCCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2OS2/c1-18(2)7-9-21-20-8-3-6-17-14(19)11-4-5-12(15)13(16)10-11/h4-5,10H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyXIEDGYFPFZWEOJ-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.06
Rot. Bonds9

About 3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide

3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide (PubChem CID 154613272) has the molecular formula C14H20Cl2N2OS2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide
PubChem CID154613272
Molecular FormulaC14H20Cl2N2OS2
Molecular Weight367.37 g/mol
Exact Mass366.04
IUPAC Name3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide
SMILESCN(C)CCSSCCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2OS2/c1-18(2)7-9-21-20-8-3-6-17-14(19)11-4-5-12(15)13(16)10-11/h4-5,10H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyXIEDGYFPFZWEOJ-UHFFFAOYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide
CID 142460671
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
3,4-dichloro-N-(5-chloropentyl)benzamide
CID 107320915
3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide
CID 142594884
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide
CID 113051988
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108570671
4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
CID 82833147

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide (CID 154613272) is 3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide is CN(C)CCSSCCCNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide?
The InChIKey is XIEDGYFPFZWEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2OS2/c1-18(2)7-9-21-20-8-3-6-17-14(19)11-4-5-12(15)13(16)10-11/h4-5,10H,3,6-9H2,1-2H3,(H,17,19).
What are the key properties of 3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide?
3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide has a molecular weight of 367.37 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide is sourced from PubChem (CID 154613272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).