ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate

C12H18ClNO3S — CID 103243974

IUPACethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNC(C)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO3S/c1-3-17-12(15)8-16-7-6-14-9(2)10-4-5-11(13)18-10/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyBWISJTPWTVUJKA-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.63
Rot. Bonds8

About ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate

ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate (PubChem CID 103243974) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
PubChem CID103243974
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC Nameethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNC(C)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO3S/c1-3-17-12(15)8-16-7-6-14-9(2)10-4-5-11(13)18-10/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyBWISJTPWTVUJKA-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-[1-(3-chlorophenyl)ethylamino]ethoxy]acetate
CID 103242496
ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
CID 114139314
3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide
CID 54935393
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
CID 103245215
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
CID 103243977
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide
CID 43551657
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
CID 112688580

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate (CID 103243974) is ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate is CCOC(=O)COCCNC(C)c1ccc(Cl)s1.
What is the InChIKey of ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate?
The InChIKey is BWISJTPWTVUJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-3-17-12(15)8-16-7-6-14-9(2)10-4-5-11(13)18-10/h4-5,9,14H,3,6-8H2,1-2H3.
What are the key properties of ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate?
ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate has a molecular weight of 291.80 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate is sourced from PubChem (CID 103243974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).