[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate

C17H18ClNO4S — CID 8616487

IUPAC[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCC(=O)NCCc1cccs1
InChIInChI=1S/C17H18ClNO4S/c1-22-15-5-4-13(18)9-12(15)10-17(21)23-11-16(20)19-7-6-14-3-2-8-24-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,19,20)
InChIKeyGRNBYRXUMFDPQZ-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.85
Rot. Bonds8

About [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 8616487) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID8616487
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCC(=O)NCCc1cccs1
InChIInChI=1S/C17H18ClNO4S/c1-22-15-5-4-13(18)9-12(15)10-17(21)23-11-16(20)19-7-6-14-3-2-8-24-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,19,20)
InChIKeyGRNBYRXUMFDPQZ-UHFFFAOYSA-N
XLogP2.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8952411
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
CID 7604407
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615797
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615975
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate
CID 28598905
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615244
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529845
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,4-dimethoxybenzoate
CID 7604434
[2-oxo-2-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616299
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 28571186
[2-(4-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615173

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate (CID 8616487) is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate is COc1ccc(Cl)cc1CC(=O)OCC(=O)NCCc1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is GRNBYRXUMFDPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-22-15-5-4-13(18)9-12(15)10-17(21)23-11-16(20)19-7-6-14-3-2-8-24-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 367.85 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 8616487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).