ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate

C15H17NO2S — CID 5127210

IUPACethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NCc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-18-15(17)10-12-5-7-13(8-6-12)16-11-14-4-3-9-19-14/h3-9,16H,2,10-11H2,1H3
InChIKeyPUISIHCTCUIGDL-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.47
Rot. Bonds6

About ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate

ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate (PubChem CID 5127210) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate
PubChem CID5127210
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Nameethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NCc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-18-15(17)10-12-5-7-13(8-6-12)16-11-14-4-3-9-19-14/h3-9,16H,2,10-11H2,1H3
InChIKeyPUISIHCTCUIGDL-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44278634
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CID 44278988
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CID 44278710

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate (CID 5127210) is ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate is CCOC(=O)Cc1ccc(NCc2cccs2)cc1.
What is the InChIKey of ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate?
The InChIKey is PUISIHCTCUIGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-18-15(17)10-12-5-7-13(8-6-12)16-11-14-4-3-9-19-14/h3-9,16H,2,10-11H2,1H3.
What are the key properties of ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate?
ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate has a molecular weight of 275.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(thiophen-2-ylmethylamino)phenyl]acetate is sourced from PubChem (CID 5127210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).