ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate

C15H17NO2S — CID 54889988

IUPACethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate
SMILESCCOC(=O)C(Nc1ccccc1C)c1ccsc1
InChIInChI=1S/C15H17NO2S/c1-3-18-15(17)14(12-8-9-19-10-12)16-13-7-5-4-6-11(13)2/h4-10,14,16H,3H2,1-2H3
InChIKeyVMGDDQWHVUNTKZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.77
Rot. Bonds5

About ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate

ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate (PubChem CID 54889988) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate.

Molecular Properties

Compound Nameethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate
PubChem CID54889988
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Nameethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate
SMILESCCOC(=O)C(Nc1ccccc1C)c1ccsc1
InChIInChI=1S/C15H17NO2S/c1-3-18-15(17)14(12-8-9-19-10-12)16-13-7-5-4-6-11(13)2/h4-10,14,16H,3H2,1-2H3
InChIKeyVMGDDQWHVUNTKZ-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(ethylamino)-2-thiophen-3-ylacetate
CID 60785866
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
ethyl 2-thiophen-3-yl-2-(thiophen-2-ylmethylamino)acetate
CID 54895068
ethyl 2-(2,4-dimethylanilino)-2-phenylacetate
CID 103600909
ethyl 2-thiophen-3-ylbutanoate
CID 12577566
ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate
CID 61001373
ethyl 3,3-dimethyl-2-(2-methylanilino)butanoate
CID 61324566
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 83091037
ethyl 2-(2-methylanilino)pent-4-enoate
CID 132607090
ethyl 3-benzoyl-4-oxo-4-phenyl-2-thiophen-3-ylbutanoate
CID 172994244
ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate
CID 103715582

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate?
The IUPAC name of ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate (CID 54889988) is ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate.
What is the SMILES notation for ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate?
The canonical SMILES for ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate is CCOC(=O)C(Nc1ccccc1C)c1ccsc1.
What is the InChIKey of ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate?
The InChIKey is VMGDDQWHVUNTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-3-18-15(17)14(12-8-9-19-10-12)16-13-7-5-4-6-11(13)2/h4-10,14,16H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate?
ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate has a molecular weight of 275.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylanilino)-2-thiophen-3-ylacetate is sourced from PubChem (CID 54889988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).