[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate

C14H11Cl2NO3S — CID 2364548

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)NCc1cccs1
InChIInChI=1S/C14H11Cl2NO3S/c15-10-4-1-5-11(16)13(10)14(19)20-8-12(18)17-7-9-3-2-6-21-9/h1-6H,7-8H2,(H,17,18)
InChIKeySVCCAEABIRPOCL-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.53
Rot. Bonds5

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate (PubChem CID 2364548) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate
PubChem CID2364548
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)NCc1cccs1
InChIInChI=1S/C14H11Cl2NO3S/c15-10-4-1-5-11(16)13(10)14(19)20-8-12(18)17-7-9-3-2-6-21-9/h1-6H,7-8H2,(H,17,18)
InChIKeySVCCAEABIRPOCL-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,6-trichlorobenzoate
CID 2578669
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloro-6-fluorobenzoate
CID 8863019
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-chloro-4,5-difluorobenzoate
CID 2364701
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-amino-3,5-dichlorobenzoate
CID 2620415
[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489076
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
CID 2364071
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2,3-dichlorobenzoate
CID 27213023
bis[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-but-2-enedioate
CID 35700522
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570693
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate
CID 2480266
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7899204
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-chloro-2-nitrobenzoate
CID 2590084

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate (CID 2364548) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate is O=C(COC(=O)c1c(Cl)cccc1Cl)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate?
The InChIKey is SVCCAEABIRPOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c15-10-4-1-5-11(16)13(10)14(19)20-8-12(18)17-7-9-3-2-6-21-9/h1-6H,7-8H2,(H,17,18).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate has a molecular weight of 344.22 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 2364548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).