ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate

C11H14BrNO3S — CID 61013447

IUPACethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H14BrNO3S/c1-3-13(6-10(14)16-4-2)11(15)8-5-9(12)17-7-8/h5,7H,3-4,6H2,1-2H3
InChIKeyQWBYPZGRJVFYQY-UHFFFAOYSA-N
MW320.21 g/mol
LogP2.54
Rot. Bonds5

About ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate

ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate (PubChem CID 61013447) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate
PubChem CID61013447
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Nameethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H14BrNO3S/c1-3-13(6-10(14)16-4-2)11(15)8-5-9(12)17-7-8/h5,7H,3-4,6H2,1-2H3
InChIKeyQWBYPZGRJVFYQY-UHFFFAOYSA-N
XLogP2.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
CID 43424494
ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
CID 54949215
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 115771703
5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 114263702
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-N-ethylthiophene-3-carboxamide
CID 107961729
ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate
CID 54978868
ethyl 2-[(5-bromo-2-chlorobenzoyl)-ethylamino]acetate
CID 61021378
ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate
CID 54900748
5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide
CID 63525816
5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 94042730
ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate
CID 61012652
ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate
CID 78902194

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate?
The IUPAC name of ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate (CID 61013447) is ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)c1csc(Br)c1.
What is the InChIKey of ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate?
The InChIKey is QWBYPZGRJVFYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-3-13(6-10(14)16-4-2)11(15)8-5-9(12)17-7-8/h5,7H,3-4,6H2,1-2H3.
What are the key properties of ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate?
ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate has a molecular weight of 320.21 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate is sourced from PubChem (CID 61013447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).