[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate

C16H14ClNO5S — CID 24982772

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H14ClNO5S/c1-22-12-5-3-2-4-10(12)16(21)18-8-15(20)23-9-11(19)13-6-7-14(17)24-13/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyHASQOFIARPLYNL-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.57
Rot. Bonds7

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 24982772) has the molecular formula C16H14ClNO5S and a molecular weight of 367.81 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID24982772
Molecular FormulaC16H14ClNO5S
Molecular Weight367.81 g/mol
Exact Mass367.03
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H14ClNO5S/c1-22-12-5-3-2-4-10(12)16(21)18-8-15(20)23-9-11(19)13-6-7-14(17)24-13/h2-7H,8-9H2,1H3,(H,18,21)
InChIKeyHASQOFIARPLYNL-UHFFFAOYSA-N
XLogP2.57
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate (CID 24982772) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate is COc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is HASQOFIARPLYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO5S/c1-22-12-5-3-2-4-10(12)16(21)18-8-15(20)23-9-11(19)13-6-7-14(17)24-13/h2-7H,8-9H2,1H3,(H,18,21).
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 367.81 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 24982772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).