6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide

C32H64N2O2S2 — CID 71350823

IUPAC6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide
SMILESCCCCCCCCCCNC(=O)CCCCCSCCSCCCCCC(=O)NCCCCCCCC
InChIInChI=1S/C32H64N2O2S2/c1-3-5-7-9-11-12-14-20-26-34-32(36)24-18-16-22-28-38-30-29-37-27-21-15-17-23-31(35)33-25-19-13-10-8-6-4-2/h3-30H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyGNHAHRCPIUHHEG-UHFFFAOYSA-N
MW573.01 g/mol
LogP9.31
Rot. Bonds31

About 6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide

6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide (PubChem CID 71350823) has the molecular formula C32H64N2O2S2 and a molecular weight of 573.01 g/mol. Its IUPAC name is 6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide.

Molecular Properties

Compound Name6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide
PubChem CID71350823
Molecular FormulaC32H64N2O2S2
Molecular Weight573.01 g/mol
Exact Mass572.44
IUPAC Name6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide
SMILESCCCCCCCCCCNC(=O)CCCCCSCCSCCCCCC(=O)NCCCCCCCC
InChIInChI=1S/C32H64N2O2S2/c1-3-5-7-9-11-12-14-20-26-34-32(36)24-18-16-22-28-38-30-29-37-27-21-15-17-23-31(35)33-25-19-13-10-8-6-4-2/h3-30H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyGNHAHRCPIUHHEG-UHFFFAOYSA-N
XLogP9.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.01
LogP ≤ 59.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide 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-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-hexadecylhexanamide
CID 4953738

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide?
The IUPAC name of 6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide (CID 71350823) is 6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide.
What is the SMILES notation for 6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide?
The canonical SMILES for 6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide is CCCCCCCCCCNC(=O)CCCCCSCCSCCCCCC(=O)NCCCCCCCC.
What is the InChIKey of 6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide?
The InChIKey is GNHAHRCPIUHHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N2O2S2/c1-3-5-7-9-11-12-14-20-26-34-32(36)24-18-16-22-28-38-30-29-37-27-21-15-17-23-31(35)33-25-19-13-10-8-6-4-2/h3-30H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of 6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide?
6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide has a molecular weight of 573.01 g/mol, XLogP of 9.31, 31 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide is sourced from PubChem (CID 71350823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).