[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate

C16H17NO4S2 — CID 8549305

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate
SMILESCOc1ccc(SCC(=O)OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C16H17NO4S2/c1-20-12-4-6-13(7-5-12)23-11-16(19)21-10-15(18)17-9-14-3-2-8-22-14/h2-8H,9-11H2,1H3,(H,17,18)
InChIKeyQESWRTSHPLANBW-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.71
Rot. Bonds8

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate (PubChem CID 8549305) has the molecular formula C16H17NO4S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate
PubChem CID8549305
Molecular FormulaC16H17NO4S2
Molecular Weight351.45 g/mol
Exact Mass351.06
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate
SMILESCOc1ccc(SCC(=O)OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C16H17NO4S2/c1-20-12-4-6-13(7-5-12)23-11-16(19)21-10-15(18)17-9-14-3-2-8-22-14/h2-8H,9-11H2,1H3,(H,17,18)
InChIKeyQESWRTSHPLANBW-UHFFFAOYSA-N
XLogP2.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8908059
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 29155630
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550911
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 8944590
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548083
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135335
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8547908
4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylbenzoic acid
CID 43242269
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30733019
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548384
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78791495

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate (CID 8549305) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate is COc1ccc(SCC(=O)OCC(=O)NCc2cccs2)cc1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate?
The InChIKey is QESWRTSHPLANBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S2/c1-20-12-4-6-13(7-5-12)23-11-16(19)21-10-15(18)17-9-14-3-2-8-22-14/h2-8H,9-11H2,1H3,(H,17,18).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate has a molecular weight of 351.45 g/mol, XLogP of 2.71, 8 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-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate is sourced from PubChem (CID 8549305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).