[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate

C18H17Cl2NO3S — CID 7701760

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1cc(Cl)ccc1Cl)NCCc1ccccc1
InChIInChI=1S/C18H17Cl2NO3S/c19-14-6-7-15(20)16(10-14)25-12-18(23)24-11-17(22)21-9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,22)
InChIKeyVFEZASDSZONRCE-UHFFFAOYSA-N
MW398.31 g/mol
LogP3.99
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate (PubChem CID 7701760) has the molecular formula C18H17Cl2NO3S and a molecular weight of 398.31 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
PubChem CID7701760
Molecular FormulaC18H17Cl2NO3S
Molecular Weight398.31 g/mol
Exact Mass397.03
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1cc(Cl)ccc1Cl)NCCc1ccccc1
InChIInChI=1S/C18H17Cl2NO3S/c19-14-6-7-15(20)16(10-14)25-12-18(23)24-11-17(22)21-9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,22)
InChIKeyVFEZASDSZONRCE-UHFFFAOYSA-N
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701715
2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide
CID 60627025
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701692
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701712
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862689
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701704
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chlorobenzoate
CID 2714989
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701533
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 9167168
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-ethoxyphenyl)sulfanylacetate
CID 8564969
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 9229357
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 31393130

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate (CID 7701760) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate is O=C(COC(=O)CSc1cc(Cl)ccc1Cl)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
The InChIKey is VFEZASDSZONRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3S/c19-14-6-7-15(20)16(10-14)25-12-18(23)24-11-17(22)21-9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,22).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate has a molecular weight of 398.31 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate is sourced from PubChem (CID 7701760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).