2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide

C15H22Cl2N2OS2 — CID 142460671

IUPAC2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide
SMILESCN(C)CCSSCCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2OS2/c1-19(2)7-9-22-21-8-3-6-18-15(20)11-12-4-5-13(16)14(17)10-12/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,20)
InChIKeyUQPBJHRCBBBOQJ-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.99
Rot. Bonds10

About 2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide

2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide (PubChem CID 142460671) has the molecular formula C15H22Cl2N2OS2 and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide
PubChem CID142460671
Molecular FormulaC15H22Cl2N2OS2
Molecular Weight381.39 g/mol
Exact Mass380.06
IUPAC Name2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide
SMILESCN(C)CCSSCCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2OS2/c1-19(2)7-9-22-21-8-3-6-18-15(20)11-12-4-5-13(16)14(17)10-12/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,20)
InChIKeyUQPBJHRCBBBOQJ-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.99
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

3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide
CID 154613272
N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047188
2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide
CID 55146750
N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
CID 119407523
2-bromo-N-[3-[(3,4-dichlorophenyl)methyl-methylamino]propyl]acetamide
CID 67442520
N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047177
2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
CID 103709115
2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
CID 8502117
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675
2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide
CID 91642461
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide (CID 142460671) is 2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide is CN(C)CCSSCCCNC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide?
The InChIKey is UQPBJHRCBBBOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2OS2/c1-19(2)7-9-22-21-8-3-6-18-15(20)11-12-4-5-13(16)14(17)10-12/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide?
2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide has a molecular weight of 381.39 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide is sourced from PubChem (CID 142460671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).