N,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide

C22H44N2O2S2 — CID 615385

IUPACN,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide
SMILESCCCCN(CCCC)C(=O)CSCCSCC(=O)N(CCCC)CCCC
InChIInChI=1S/C22H44N2O2S2/c1-5-9-13-23(14-10-6-2)21(25)19-27-17-18-28-20-22(26)24(15-11-7-3)16-12-8-4/h5-20H2,1-4H3
InChIKeyILLYHUSJPUWLNE-UHFFFAOYSA-N
MW432.74 g/mol
LogP5.31
Rot. Bonds19

About N,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide

N,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide (PubChem CID 615385) has the molecular formula C22H44N2O2S2 and a molecular weight of 432.74 g/mol. Its IUPAC name is N,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide
PubChem CID615385
Molecular FormulaC22H44N2O2S2
Molecular Weight432.74 g/mol
Exact Mass432.28
IUPAC NameN,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide
SMILESCCCCN(CCCC)C(=O)CSCCSCC(=O)N(CCCC)CCCC
InChIInChI=1S/C22H44N2O2S2/c1-5-9-13-23(14-10-6-2)21(25)19-27-17-18-28-20-22(26)24(15-11-7-3)16-12-8-4/h5-20H2,1-4H3
InChIKeyILLYHUSJPUWLNE-UHFFFAOYSA-N
XLogP5.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide?
The IUPAC name of N,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide (CID 615385) is N,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide.
What is the SMILES notation for N,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide?
The canonical SMILES for N,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide is CCCCN(CCCC)C(=O)CSCCSCC(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide?
The InChIKey is ILLYHUSJPUWLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2S2/c1-5-9-13-23(14-10-6-2)21(25)19-27-17-18-28-20-22(26)24(15-11-7-3)16-12-8-4/h5-20H2,1-4H3.
What are the key properties of N,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide?
N,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide has a molecular weight of 432.74 g/mol, XLogP of 5.31, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[2-[2-(dibutylamino)-2-oxoethyl]sulfanylethylsulfanyl]acetamide is sourced from PubChem (CID 615385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).