N-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide

C23H49NOS — CID 141419716

IUPACN-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCS(C)(C)C
InChIInChI=1S/C23H49NOS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)24-21-22-26(2,3)4/h5-22H2,1-4H3,(H,24,25)
InChIKeyMUTNOHIPAZWXDP-UHFFFAOYSA-N
MW387.72 g/mol
LogP7.06
Rot. Bonds19

About N-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide

N-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide (PubChem CID 141419716) has the molecular formula C23H49NOS and a molecular weight of 387.72 g/mol. Its IUPAC name is N-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide
PubChem CID141419716
Molecular FormulaC23H49NOS
Molecular Weight387.72 g/mol
Exact Mass387.35
IUPAC NameN-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCS(C)(C)C
InChIInChI=1S/C23H49NOS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)24-21-22-26(2,3)4/h5-22H2,1-4H3,(H,24,25)
InChIKeyMUTNOHIPAZWXDP-UHFFFAOYSA-N
XLogP7.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.72
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide?
The IUPAC name of N-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide (CID 141419716) is N-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide.
What is the SMILES notation for N-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide?
The canonical SMILES for N-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCS(C)(C)C.
What is the InChIKey of N-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide?
The InChIKey is MUTNOHIPAZWXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NOS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)24-21-22-26(2,3)4/h5-22H2,1-4H3,(H,24,25).
What are the key properties of N-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide?
N-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide has a molecular weight of 387.72 g/mol, XLogP of 7.06, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trimethyl-λ4-sulfanyl)ethyl]octadecanamide is sourced from PubChem (CID 141419716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).