[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate

C16H21Cl2NO3S — CID 9167168

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESCC(C)N(C(=O)COC(=O)CSc1cc(Cl)ccc1Cl)C(C)C
InChIInChI=1S/C16H21Cl2NO3S/c1-10(2)19(11(3)4)15(20)8-22-16(21)9-23-14-7-12(17)5-6-13(14)18/h5-7,10-11H,8-9H2,1-4H3
InChIKeyIFQIJRLEFDEIBW-UHFFFAOYSA-N
MW378.32 g/mol
LogP4.27
Rot. Bonds7

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate (PubChem CID 9167168) has the molecular formula C16H21Cl2NO3S and a molecular weight of 378.32 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
PubChem CID9167168
Molecular FormulaC16H21Cl2NO3S
Molecular Weight378.32 g/mol
Exact Mass377.06
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESCC(C)N(C(=O)COC(=O)CSc1cc(Cl)ccc1Cl)C(C)C
InChIInChI=1S/C16H21Cl2NO3S/c1-10(2)19(11(3)4)15(20)8-22-16(21)9-23-14-7-12(17)5-6-13(14)18/h5-7,10-11H,8-9H2,1-4H3
InChIKeyIFQIJRLEFDEIBW-UHFFFAOYSA-N
XLogP4.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701715
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701712
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 31393130
(2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 55313686
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701704
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 23966002
[2-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 98285332
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701760
N-(1-aminopropan-2-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119582804
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701533
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701692
9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701638

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate (CID 9167168) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate is CC(C)N(C(=O)COC(=O)CSc1cc(Cl)ccc1Cl)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
The InChIKey is IFQIJRLEFDEIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO3S/c1-10(2)19(11(3)4)15(20)8-22-16(21)9-23-14-7-12(17)5-6-13(14)18/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate has a molecular weight of 378.32 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate is sourced from PubChem (CID 9167168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).