N-ethyl-3-(3-oxododecyldisulfanyl)propanamide

C17H33NO2S2 — CID 159526154

IUPACN-ethyl-3-(3-oxododecyldisulfanyl)propanamide
SMILESCCCCCCCCCC(=O)CCSSCCC(=O)NCC
InChIInChI=1S/C17H33NO2S2/c1-3-5-6-7-8-9-10-11-16(19)12-14-21-22-15-13-17(20)18-4-2/h3-15H2,1-2H3,(H,18,20)
InChIKeyCVDZEZVONFRAEN-UHFFFAOYSA-N
MW347.59 g/mol
LogP4.99
Rot. Bonds16

About N-ethyl-3-(3-oxododecyldisulfanyl)propanamide

N-ethyl-3-(3-oxododecyldisulfanyl)propanamide (PubChem CID 159526154) has the molecular formula C17H33NO2S2 and a molecular weight of 347.59 g/mol. Its IUPAC name is N-ethyl-3-(3-oxododecyldisulfanyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(3-oxododecyldisulfanyl)propanamide
PubChem CID159526154
Molecular FormulaC17H33NO2S2
Molecular Weight347.59 g/mol
Exact Mass347.20
IUPAC NameN-ethyl-3-(3-oxododecyldisulfanyl)propanamide
SMILESCCCCCCCCCC(=O)CCSSCCC(=O)NCC
InChIInChI=1S/C17H33NO2S2/c1-3-5-6-7-8-9-10-11-16(19)12-14-21-22-15-13-17(20)18-4-2/h3-15H2,1-2H3,(H,18,20)
InChIKeyCVDZEZVONFRAEN-UHFFFAOYSA-N
XLogP4.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 54.99
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'}

Analyze N-ethyl-3-(3-oxododecyldisulfanyl)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

1-(3-oxopentyldisulfanyl)undecan-3-one
CID 159485018
1-(propyldisulfanyl)octan-3-one
CID 58409441
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
1-ethyl-3-[2-(4-oxotridecyldisulfanyl)ethyl]urea
CID 159485021
N,N'-diethylnonanediamide
CID 89048639
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
N-ethyloctadecanamide;octadecanamide
CID 159879248
pentacosane-7,19-dione
CID 139254510
octacosan-8-one
CID 86052342
nonadecan-7-one
CID 12913434

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-oxododecyldisulfanyl)propanamide?
The IUPAC name of N-ethyl-3-(3-oxododecyldisulfanyl)propanamide (CID 159526154) is N-ethyl-3-(3-oxododecyldisulfanyl)propanamide.
What is the SMILES notation for N-ethyl-3-(3-oxododecyldisulfanyl)propanamide?
The canonical SMILES for N-ethyl-3-(3-oxododecyldisulfanyl)propanamide is CCCCCCCCCC(=O)CCSSCCC(=O)NCC.
What is the InChIKey of N-ethyl-3-(3-oxododecyldisulfanyl)propanamide?
The InChIKey is CVDZEZVONFRAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2S2/c1-3-5-6-7-8-9-10-11-16(19)12-14-21-22-15-13-17(20)18-4-2/h3-15H2,1-2H3,(H,18,20).
What are the key properties of N-ethyl-3-(3-oxododecyldisulfanyl)propanamide?
N-ethyl-3-(3-oxododecyldisulfanyl)propanamide has a molecular weight of 347.59 g/mol, XLogP of 4.99, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-oxododecyldisulfanyl)propanamide is sourced from PubChem (CID 159526154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).