ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate

C10H13NO3S — CID 4632592

IUPACethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C10H13NO3S/c1-2-14-10(13)7-11-9(12)6-8-4-3-5-15-8/h3-5H,2,6-7H2,1H3,(H,11,12)
InChIKeyLEJRYLJWXMILRY-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.97
Rot. Bonds5

About ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate

ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate (PubChem CID 4632592) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
PubChem CID4632592
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Nameethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)Cc1cccs1
InChIInChI=1S/C10H13NO3S/c1-2-14-10(13)7-11-9(12)6-8-4-3-5-15-8/h3-5H,2,6-7H2,1H3,(H,11,12)
InChIKeyLEJRYLJWXMILRY-UHFFFAOYSA-N
XLogP0.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43445634
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
(2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 110670963
ethyl 2-(thionin-2-yl)acetate
CID 174897632
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide
CID 113331524
N-(2-chloroprop-2-enyl)-2-thiophen-2-ylacetamide
CID 115636481
N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide
CID 106255533
methyl 4-[[2-[(2-thiophen-2-ylacetyl)amino]acetyl]amino]benzoate
CID 112999942
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112997000
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112995358
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
CID 26163301

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate (CID 4632592) is ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate is CCOC(=O)CNC(=O)Cc1cccs1.
What is the InChIKey of ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate?
The InChIKey is LEJRYLJWXMILRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-2-14-10(13)7-11-9(12)6-8-4-3-5-15-8/h3-5H,2,6-7H2,1H3,(H,11,12).
What are the key properties of ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate?
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate has a molecular weight of 227.28 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate is sourced from PubChem (CID 4632592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).