N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide

C20H40N2O2S — CID 581783

IUPACN,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide
SMILESCCCCN(CCCC)C(=O)CSCC(=O)N(CCCC)CCCC
InChIInChI=1S/C20H40N2O2S/c1-5-9-13-21(14-10-6-2)19(23)17-25-18-20(24)22(15-11-7-3)16-12-8-4/h5-18H2,1-4H3
InChIKeyYWUAJWGGODOWIR-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.58
Rot. Bonds16

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

N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide (PubChem CID 581783) has the molecular formula C20H40N2O2S and a molecular weight of 372.62 g/mol. Its IUPAC name is N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide
PubChem CID581783
Molecular FormulaC20H40N2O2S
Molecular Weight372.62 g/mol
Exact Mass372.28
IUPAC NameN,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide
SMILESCCCCN(CCCC)C(=O)CSCC(=O)N(CCCC)CCCC
InChIInChI=1S/C20H40N2O2S/c1-5-9-13-21(14-10-6-2)19(23)17-25-18-20(24)22(15-11-7-3)16-12-8-4/h5-18H2,1-4H3
InChIKeyYWUAJWGGODOWIR-UHFFFAOYSA-N
XLogP4.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide (CID 581783) is N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide is CCCCN(CCCC)C(=O)CSCC(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is YWUAJWGGODOWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2S/c1-5-9-13-21(14-10-6-2)19(23)17-25-18-20(24)22(15-11-7-3)16-12-8-4/h5-18H2,1-4H3.
What are the key properties of N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide?
N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 372.62 g/mol, XLogP of 4.58, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 581783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).