N-(3-ethylsulfanylpropyl)octadecanamide

C23H47NOS — CID 140994811

IUPACN-(3-ethylsulfanylpropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCSCC
InChIInChI=1S/C23H47NOS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)24-21-19-22-26-4-2/h3-22H2,1-2H3,(H,24,25)
InChIKeyFYKYZLWRFPKOHX-UHFFFAOYSA-N
MW385.70 g/mol
LogP7.51
Rot. Bonds21

About N-(3-ethylsulfanylpropyl)octadecanamide

N-(3-ethylsulfanylpropyl)octadecanamide (PubChem CID 140994811) has the molecular formula C23H47NOS and a molecular weight of 385.70 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)octadecanamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)octadecanamide
PubChem CID140994811
Molecular FormulaC23H47NOS
Molecular Weight385.70 g/mol
Exact Mass385.34
IUPAC NameN-(3-ethylsulfanylpropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCSCC
InChIInChI=1S/C23H47NOS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)24-21-19-22-26-4-2/h3-22H2,1-2H3,(H,24,25)
InChIKeyFYKYZLWRFPKOHX-UHFFFAOYSA-N
XLogP7.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.70
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[6-(decylamino)-6-oxohexyl]sulfanylethylsulfanyl]-N-octylhexanamide
CID 71350823
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
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
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)octadecanamide?
The IUPAC name of N-(3-ethylsulfanylpropyl)octadecanamide (CID 140994811) is N-(3-ethylsulfanylpropyl)octadecanamide.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)octadecanamide?
The canonical SMILES for N-(3-ethylsulfanylpropyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCCSCC.
What is the InChIKey of N-(3-ethylsulfanylpropyl)octadecanamide?
The InChIKey is FYKYZLWRFPKOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NOS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)24-21-19-22-26-4-2/h3-22H2,1-2H3,(H,24,25).
What are the key properties of N-(3-ethylsulfanylpropyl)octadecanamide?
N-(3-ethylsulfanylpropyl)octadecanamide has a molecular weight of 385.70 g/mol, XLogP of 7.51, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)octadecanamide is sourced from PubChem (CID 140994811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).