N-[(tridecanoylamino)tetrasulfanyl]tridecanamide

C26H52N2O2S4 — CID 139729518

IUPACN-[(tridecanoylamino)tetrasulfanyl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)NSSSSNC(=O)CCCCCCCCCCCC
InChIInChI=1S/C26H52N2O2S4/c1-3-5-7-9-11-13-15-17-19-21-23-25(29)27-31-33-34-32-28-26(30)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyBNUIOAUGTRVCEM-UHFFFAOYSA-N
MW552.98 g/mol
LogP10.35
Rot. Bonds27

About N-[(tridecanoylamino)tetrasulfanyl]tridecanamide

N-[(tridecanoylamino)tetrasulfanyl]tridecanamide (PubChem CID 139729518) has the molecular formula C26H52N2O2S4 and a molecular weight of 552.98 g/mol. Its IUPAC name is N-[(tridecanoylamino)tetrasulfanyl]tridecanamide.

Molecular Properties

Compound NameN-[(tridecanoylamino)tetrasulfanyl]tridecanamide
PubChem CID139729518
Molecular FormulaC26H52N2O2S4
Molecular Weight552.98 g/mol
Exact Mass552.29
IUPAC NameN-[(tridecanoylamino)tetrasulfanyl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)NSSSSNC(=O)CCCCCCCCCCCC
InChIInChI=1S/C26H52N2O2S4/c1-3-5-7-9-11-13-15-17-19-21-23-25(29)27-31-33-34-32-28-26(30)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyBNUIOAUGTRVCEM-UHFFFAOYSA-N
XLogP10.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.98
LogP ≤ 510.35
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-[(tetradecanoylamino)tetrasulfanyl]tetradecanamide
CID 139729525
N-[(heptanoylamino)pentasulfanyl]heptanamide
CID 139729502
N-[(butanoylamino)tetrasulfanyl]butanamide
CID 139729508
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-decanoyldecanamide
CID 87914075
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-hexadecylhexanamide
CID 4953738
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-[(tridecanoylamino)tetrasulfanyl]tridecanamide?
The IUPAC name of N-[(tridecanoylamino)tetrasulfanyl]tridecanamide (CID 139729518) is N-[(tridecanoylamino)tetrasulfanyl]tridecanamide.
What is the SMILES notation for N-[(tridecanoylamino)tetrasulfanyl]tridecanamide?
The canonical SMILES for N-[(tridecanoylamino)tetrasulfanyl]tridecanamide is CCCCCCCCCCCCC(=O)NSSSSNC(=O)CCCCCCCCCCCC.
What is the InChIKey of N-[(tridecanoylamino)tetrasulfanyl]tridecanamide?
The InChIKey is BNUIOAUGTRVCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O2S4/c1-3-5-7-9-11-13-15-17-19-21-23-25(29)27-31-33-34-32-28-26(30)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[(tridecanoylamino)tetrasulfanyl]tridecanamide?
N-[(tridecanoylamino)tetrasulfanyl]tridecanamide has a molecular weight of 552.98 g/mol, XLogP of 10.35, 27 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(tridecanoylamino)tetrasulfanyl]tridecanamide is sourced from PubChem (CID 139729518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).