N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide

C28H56N2O2S4 — CID 139729525

IUPACN-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NSSSSNC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C28H56N2O2S4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(31)29-33-35-36-34-30-28(32)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyFSXCSTJAJADFNX-UHFFFAOYSA-N
MW581.04 g/mol
LogP11.13
Rot. Bonds29

About N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide

N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide (PubChem CID 139729525) has the molecular formula C28H56N2O2S4 and a molecular weight of 581.04 g/mol. Its IUPAC name is N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide.

Molecular Properties

Compound NameN-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide
PubChem CID139729525
Molecular FormulaC28H56N2O2S4
Molecular Weight581.04 g/mol
Exact Mass580.32
IUPAC NameN-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NSSSSNC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C28H56N2O2S4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(31)29-33-35-36-34-30-28(32)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyFSXCSTJAJADFNX-UHFFFAOYSA-N
XLogP11.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.04
LogP ≤ 511.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(tridecanoylamino)tetrasulfanyl]tridecanamide
CID 139729518
N-[(heptanoylamino)pentasulfanyl]heptanamide
CID 139729502
N-[(butanoylamino)tetrasulfanyl]butanamide
CID 139729508
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-pentylicosanamide
CID 139961886
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide?
The IUPAC name of N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide (CID 139729525) is N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide.
What is the SMILES notation for N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide?
The canonical SMILES for N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NSSSSNC(=O)CCCCCCCCCCCCC.
What is the InChIKey of N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide?
The InChIKey is FSXCSTJAJADFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N2O2S4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(31)29-33-35-36-34-30-28(32)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide?
N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide has a molecular weight of 581.04 g/mol, XLogP of 11.13, 29 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide is sourced from PubChem (CID 139729525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).