[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate

C17H18N2O5S — CID 2363992

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-13-6-4-12(5-7-13)17(22)19-10-16(21)24-11-15(20)18-9-14-3-2-8-25-14/h2-8H,9-11H2,1H3,(H,18,20)(H,19,22)
InChIKeyMRRWYIVTCUBYLL-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.35
Rot. Bonds8

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 2363992) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID2363992
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-13-6-4-12(5-7-13)17(22)19-10-16(21)24-11-15(20)18-9-14-3-2-8-25-14/h2-8H,9-11H2,1H3,(H,18,20)(H,19,22)
InChIKeyMRRWYIVTCUBYLL-UHFFFAOYSA-N
XLogP1.35
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate (CID 2363992) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCC(=O)NCc2cccs2)cc1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is MRRWYIVTCUBYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-23-13-6-4-12(5-7-13)17(22)19-10-16(21)24-11-15(20)18-9-14-3-2-8-25-14/h2-8H,9-11H2,1H3,(H,18,20)(H,19,22).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 362.41 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 2363992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).