N-hydroxy-26-sulfanylhexacosanamide

C26H53NO2S — CID 87681311

IUPACN-hydroxy-26-sulfanylhexacosanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCCCS)NO
InChIInChI=1S/C26H53NO2S/c28-26(27-29)24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-30/h29-30H,1-25H2,(H,27,28)
InChIKeyNQRIOWPAJJBVRZ-UHFFFAOYSA-N
MW443.78 g/mol
LogP8.78
Rot. Bonds25

About N-hydroxy-26-sulfanylhexacosanamide

N-hydroxy-26-sulfanylhexacosanamide (PubChem CID 87681311) has the molecular formula C26H53NO2S and a molecular weight of 443.78 g/mol. Its IUPAC name is N-hydroxy-26-sulfanylhexacosanamide.

Molecular Properties

Compound NameN-hydroxy-26-sulfanylhexacosanamide
PubChem CID87681311
Molecular FormulaC26H53NO2S
Molecular Weight443.78 g/mol
Exact Mass443.38
IUPAC NameN-hydroxy-26-sulfanylhexacosanamide
SMILESO=C(CCCCCCCCCCCCCCCCCCCCCCCCCS)NO
InChIInChI=1S/C26H53NO2S/c28-26(27-29)24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-30/h29-30H,1-25H2,(H,27,28)
InChIKeyNQRIOWPAJJBVRZ-UHFFFAOYSA-N
XLogP8.78
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.78
LogP ≤ 58.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-31-sulfanylhentriacontanamide
CID 87684217
N-hydroxy-11-sulfanylundecanamide
CID 87682134
N-methyl-6-sulfanylhexanamide
CID 58262294
20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101
N,16-dihydroxyhexadecanamide
CID 87686064
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
26-(hydroxyamino)-26-oxohexacosanoic acid
CID 87686862
30-(hydroxyamino)-30-oxotriacontanedithioic acid
CID 87685911
1,13-bis(sulfanyl)tridecan-7-one
CID 151077542
14-chloro-N-hydroxytetradecanamide
CID 87682446
20-bromo-N-hydroxyicosanamide
CID 87683991
14-amino-N-hydroxytetradecanamide
CID 87686192

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-26-sulfanylhexacosanamide?
The IUPAC name of N-hydroxy-26-sulfanylhexacosanamide (CID 87681311) is N-hydroxy-26-sulfanylhexacosanamide.
What is the SMILES notation for N-hydroxy-26-sulfanylhexacosanamide?
The canonical SMILES for N-hydroxy-26-sulfanylhexacosanamide is O=C(CCCCCCCCCCCCCCCCCCCCCCCCCS)NO.
What is the InChIKey of N-hydroxy-26-sulfanylhexacosanamide?
The InChIKey is NQRIOWPAJJBVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO2S/c28-26(27-29)24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-30/h29-30H,1-25H2,(H,27,28).
What are the key properties of N-hydroxy-26-sulfanylhexacosanamide?
N-hydroxy-26-sulfanylhexacosanamide has a molecular weight of 443.78 g/mol, XLogP of 8.78, 25 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-26-sulfanylhexacosanamide is sourced from PubChem (CID 87681311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).