[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate

C15H13Cl2NO3S — CID 7604407

IUPAC[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1Cl)NCCc1cccs1
InChIInChI=1S/C15H13Cl2NO3S/c16-10-3-4-13(17)12(8-10)15(20)21-9-14(19)18-6-5-11-2-1-7-22-11/h1-4,7-8H,5-6,9H2,(H,18,19)
InChIKeyBKCQMCCYJOHNJY-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.57
Rot. Bonds6

About [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate (PubChem CID 7604407) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
PubChem CID7604407
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1Cl)NCCc1cccs1
InChIInChI=1S/C15H13Cl2NO3S/c16-10-3-4-13(17)12(8-10)15(20)21-9-14(19)18-6-5-11-2-1-7-22-11/h1-4,7-8H,5-6,9H2,(H,18,19)
InChIKeyBKCQMCCYJOHNJY-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloro-6-fluorobenzoate
CID 8863019
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 8864600
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-chloro-4,5-difluorobenzoate
CID 2364701
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate
CID 8936148
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-amino-4-fluorobenzoate
CID 24501401
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-amino-3,5-dichlorobenzoate
CID 2620415
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-chloro-2-nitrobenzoate
CID 2590084
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616487
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722923
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 7604220
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,4-dimethoxybenzoate
CID 7604434

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate (CID 7604407) is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate is O=C(COC(=O)c1cc(Cl)ccc1Cl)NCCc1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate?
The InChIKey is BKCQMCCYJOHNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c16-10-3-4-13(17)12(8-10)15(20)21-9-14(19)18-6-5-11-2-1-7-22-11/h1-4,7-8H,5-6,9H2,(H,18,19).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate?
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate has a molecular weight of 358.25 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate is sourced from PubChem (CID 7604407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).