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

C20H40N2O3S — CID 598403

IUPACN,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfinylacetamide
SMILESCCCCN(CCCC)C(=O)CS(=O)CC(=O)N(CCCC)CCCC
InChIInChI=1S/C20H40N2O3S/c1-5-9-13-21(14-10-6-2)19(23)17-26(25)18-20(24)22(15-11-7-3)16-12-8-4/h5-18H2,1-4H3
InChIKeyZDGKZYVSTNBSFI-UHFFFAOYSA-N
MW388.62 g/mol
LogP3.59
Rot. Bonds16

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

N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfinylacetamide (PubChem CID 598403) has the molecular formula C20H40N2O3S and a molecular weight of 388.62 g/mol. Its IUPAC name is N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfinylacetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfinylacetamide
PubChem CID598403
Molecular FormulaC20H40N2O3S
Molecular Weight388.62 g/mol
Exact Mass388.28
IUPAC NameN,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfinylacetamide
SMILESCCCCN(CCCC)C(=O)CS(=O)CC(=O)N(CCCC)CCCC
InChIInChI=1S/C20H40N2O3S/c1-5-9-13-21(14-10-6-2)19(23)17-26(25)18-20(24)22(15-11-7-3)16-12-8-4/h5-18H2,1-4H3
InChIKeyZDGKZYVSTNBSFI-UHFFFAOYSA-N
XLogP3.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.62
LogP ≤ 53.59
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]sulfinylacetamide?
The IUPAC name of N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfinylacetamide (CID 598403) is N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfinylacetamide.
What is the SMILES notation for N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfinylacetamide?
The canonical SMILES for N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfinylacetamide is CCCCN(CCCC)C(=O)CS(=O)CC(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfinylacetamide?
The InChIKey is ZDGKZYVSTNBSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O3S/c1-5-9-13-21(14-10-6-2)19(23)17-26(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]sulfinylacetamide?
N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethyl]sulfinylacetamide has a molecular weight of 388.62 g/mol, XLogP of 3.59, 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]sulfinylacetamide is sourced from PubChem (CID 598403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).