2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide

C20H40N2O2S — CID 175930212

IUPAC2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=S)COCC(N)=O
InChIInChI=1S/C20H40N2O2S/c1-5-9-11-17(7-3)13-22(14-18(8-4)12-10-6-2)20(25)16-24-15-19(21)23/h17-18H,5-16H2,1-4H3,(H2,21,23)
InChIKeyGTJIVMYZZWCPKH-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.55
Rot. Bonds16

About 2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide

2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide (PubChem CID 175930212) has the molecular formula C20H40N2O2S and a molecular weight of 372.62 g/mol. Its IUPAC name is 2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide
PubChem CID175930212
Molecular FormulaC20H40N2O2S
Molecular Weight372.62 g/mol
Exact Mass372.28
IUPAC Name2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=S)COCC(N)=O
InChIInChI=1S/C20H40N2O2S/c1-5-9-11-17(7-3)13-22(14-18(8-4)12-10-6-2)20(25)16-24-15-19(21)23/h17-18H,5-16H2,1-4H3,(H2,21,23)
InChIKeyGTJIVMYZZWCPKH-UHFFFAOYSA-N
XLogP4.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide
CID 125400279
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
hexakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum
CID 18173000
tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)
CID 14251989
2-(2-ethylhexoxy)ethanethioamide
CID 43128235
2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
CID 129361637
2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide
CID 20752249
propyl 6-[bis(2-ethylhexyl)amino]-6-oxohexanoate
CID 91717811
2-(2-ethylbutylamino)oxyacetamide
CID 112673147
[bis(2-ethylhexyl)amino]carbamic acid
CID 174534036
bis[[bis(2-ethylhexyl)amino]methyl] hydrogen phosphate
CID 153353654

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide?
The IUPAC name of 2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide (CID 175930212) is 2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide.
What is the SMILES notation for 2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide?
The canonical SMILES for 2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide is CCCCC(CC)CN(CC(CC)CCCC)C(=S)COCC(N)=O.
What is the InChIKey of 2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide?
The InChIKey is GTJIVMYZZWCPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2S/c1-5-9-11-17(7-3)13-22(14-18(8-4)12-10-6-2)20(25)16-24-15-19(21)23/h17-18H,5-16H2,1-4H3,(H2,21,23).
What are the key properties of 2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide?
2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide has a molecular weight of 372.62 g/mol, XLogP of 4.55, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide is sourced from PubChem (CID 175930212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).