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

C12H18ClNO3S — CID 114139314

IUPACethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCCc1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO3S/c1-2-17-12(15)9-16-8-7-14-6-5-10-3-4-11(13)18-10/h3-4,14H,2,5-9H2,1H3
InChIKeyPQGOUPMLMWRKFR-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.11
Rot. Bonds9

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

ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate (PubChem CID 114139314) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
PubChem CID114139314
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC Nameethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCCc1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO3S/c1-2-17-12(15)9-16-8-7-14-6-5-10-3-4-11(13)18-10/h3-4,14H,2,5-9H2,1H3
InChIKeyPQGOUPMLMWRKFR-UHFFFAOYSA-N
XLogP2.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.11
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 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate
CID 106036708
N-(2-butoxyethyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 106046388
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine
CID 106046471
ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
CID 103243974
ethyl 2-[2-(5-chlorothiophen-2-yl)ethylamino]butanoate
CID 106036934
ethyl 2-[2-[(2-chlorophenyl)methylamino]ethoxy]acetate
CID 103232927
N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 106046261
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111896597
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(2-ethoxyethoxy)propanamide
CID 51089322
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 106046390
methyl 2-[2-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]phenyl]acetate
CID 106036894

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate (CID 114139314) is ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate is CCOC(=O)COCCNCCc1ccc(Cl)s1.
What is the InChIKey of ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate?
The InChIKey is PQGOUPMLMWRKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-2-17-12(15)9-16-8-7-14-6-5-10-3-4-11(13)18-10/h3-4,14H,2,5-9H2,1H3.
What are the key properties of ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate?
ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate has a molecular weight of 291.80 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate is sourced from PubChem (CID 114139314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).