N,N-dioctyl-2-phenylsulfanylacetamide

C24H41NOS — CID 532874

IUPACN,N-dioctyl-2-phenylsulfanylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CSc1ccccc1
InChIInChI=1S/C24H41NOS/c1-3-5-7-9-11-16-20-25(21-17-12-10-8-6-4-2)24(26)22-27-23-18-14-13-15-19-23/h13-15,18-19H,3-12,16-17,20-22H2,1-2H3
InChIKeyBDMYCYCVJNLJRO-UHFFFAOYSA-N
MW391.67 g/mol
LogP7.33
Rot. Bonds17

About N,N-dioctyl-2-phenylsulfanylacetamide

N,N-dioctyl-2-phenylsulfanylacetamide (PubChem CID 532874) has the molecular formula C24H41NOS and a molecular weight of 391.67 g/mol. Its IUPAC name is N,N-dioctyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN,N-dioctyl-2-phenylsulfanylacetamide
PubChem CID532874
Molecular FormulaC24H41NOS
Molecular Weight391.67 g/mol
Exact Mass391.29
IUPAC NameN,N-dioctyl-2-phenylsulfanylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CSc1ccccc1
InChIInChI=1S/C24H41NOS/c1-3-5-7-9-11-16-20-25(21-17-12-10-8-6-4-2)24(26)22-27-23-18-14-13-15-19-23/h13-15,18-19H,3-12,16-17,20-22H2,1-2H3
InChIKeyBDMYCYCVJNLJRO-UHFFFAOYSA-N
XLogP7.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.67
LogP ≤ 57.33
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-dioctyl-2-phenylsulfanylacetamide?
The IUPAC name of N,N-dioctyl-2-phenylsulfanylacetamide (CID 532874) is N,N-dioctyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N,N-dioctyl-2-phenylsulfanylacetamide?
The canonical SMILES for N,N-dioctyl-2-phenylsulfanylacetamide is CCCCCCCCN(CCCCCCCC)C(=O)CSc1ccccc1.
What is the InChIKey of N,N-dioctyl-2-phenylsulfanylacetamide?
The InChIKey is BDMYCYCVJNLJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NOS/c1-3-5-7-9-11-16-20-25(21-17-12-10-8-6-4-2)24(26)22-27-23-18-14-13-15-19-23/h13-15,18-19H,3-12,16-17,20-22H2,1-2H3.
What are the key properties of N,N-dioctyl-2-phenylsulfanylacetamide?
N,N-dioctyl-2-phenylsulfanylacetamide has a molecular weight of 391.67 g/mol, XLogP of 7.33, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dioctyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 532874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).