N,N-didecyl-2-phenylsulfanylacetamide

C28H49NOS — CID 532876

IUPACN,N-didecyl-2-phenylsulfanylacetamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CSc1ccccc1
InChIInChI=1S/C28H49NOS/c1-3-5-7-9-11-13-15-20-24-29(25-21-16-14-12-10-8-6-4-2)28(30)26-31-27-22-18-17-19-23-27/h17-19,22-23H,3-16,20-21,24-26H2,1-2H3
InChIKeyBTROQBOSTNMHHP-UHFFFAOYSA-N
MW447.77 g/mol
LogP8.89
Rot. Bonds21

About N,N-didecyl-2-phenylsulfanylacetamide

N,N-didecyl-2-phenylsulfanylacetamide (PubChem CID 532876) has the molecular formula C28H49NOS and a molecular weight of 447.77 g/mol. Its IUPAC name is N,N-didecyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN,N-didecyl-2-phenylsulfanylacetamide
PubChem CID532876
Molecular FormulaC28H49NOS
Molecular Weight447.77 g/mol
Exact Mass447.35
IUPAC NameN,N-didecyl-2-phenylsulfanylacetamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CSc1ccccc1
InChIInChI=1S/C28H49NOS/c1-3-5-7-9-11-13-15-20-24-29(25-21-16-14-12-10-8-6-4-2)28(30)26-31-27-22-18-17-19-23-27/h17-19,22-23H,3-16,20-21,24-26H2,1-2H3
InChIKeyBTROQBOSTNMHHP-UHFFFAOYSA-N
XLogP8.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.77
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-didecyl-2-phenylsulfanylacetamide?
The IUPAC name of N,N-didecyl-2-phenylsulfanylacetamide (CID 532876) is N,N-didecyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N,N-didecyl-2-phenylsulfanylacetamide?
The canonical SMILES for N,N-didecyl-2-phenylsulfanylacetamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)CSc1ccccc1.
What is the InChIKey of N,N-didecyl-2-phenylsulfanylacetamide?
The InChIKey is BTROQBOSTNMHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49NOS/c1-3-5-7-9-11-13-15-20-24-29(25-21-16-14-12-10-8-6-4-2)28(30)26-31-27-22-18-17-19-23-27/h17-19,22-23H,3-16,20-21,24-26H2,1-2H3.
What are the key properties of N,N-didecyl-2-phenylsulfanylacetamide?
N,N-didecyl-2-phenylsulfanylacetamide has a molecular weight of 447.77 g/mol, XLogP of 8.89, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 532876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).