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

C16H15NO5S — CID 8788738

IUPAC(2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)c2cccs2)cc1
InChIInChI=1S/C16H15NO5S/c1-21-12-6-4-11(5-7-12)16(20)17-9-15(19)22-10-13(18)14-3-2-8-23-14/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyBNMNLULWAHUEMG-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.91
Rot. Bonds7

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

(2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 8788738) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID8788738
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)c2cccs2)cc1
InChIInChI=1S/C16H15NO5S/c1-21-12-6-4-11(5-7-12)16(20)17-9-15(19)22-10-13(18)14-3-2-8-23-14/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyBNMNLULWAHUEMG-UHFFFAOYSA-N
XLogP1.91
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxo-2-thiophen-2-ylethyl) 2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]acetate
CID 3518891
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854515
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788019
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662292
N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108807760
4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97240938
phenacyl (3S)-3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 40852828
phenacyl 3-(4-methoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 3477347
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662439
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2116305
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788004
4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 13105423

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate (CID 8788738) is (2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCC(=O)c2cccs2)cc1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is BNMNLULWAHUEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c1-21-12-6-4-11(5-7-12)16(20)17-9-15(19)22-10-13(18)14-3-2-8-23-14/h2-8H,9-10H2,1H3,(H,17,20).
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate?
(2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 333.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 8788738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).