ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate

C13H19NO4S — CID 79465658

IUPACethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1cc(OC)cs1
InChIInChI=1S/C13H19NO4S/c1-4-6-14(8-12(15)18-5-2)13(16)11-7-10(17-3)9-19-11/h7,9H,4-6,8H2,1-3H3
InChIKeyBLMRKPCZOBSLHR-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.17
Rot. Bonds7

About ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate

ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate (PubChem CID 79465658) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate
PubChem CID79465658
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Nameethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1cc(OC)cs1
InChIInChI=1S/C13H19NO4S/c1-4-6-14(8-12(15)18-5-2)13(16)11-7-10(17-3)9-19-11/h7,9H,4-6,8H2,1-3H3
InChIKeyBLMRKPCZOBSLHR-UHFFFAOYSA-N
XLogP2.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(2-hydroxyethyl)-4-methoxythiophene-2-carboxamide
CID 81122072
ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78968119
ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate
CID 54898816
ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
CID 62615904
ethyl 2-[(4-bromothiophen-2-yl)methyl-propylamino]acetate
CID 62026565
ethyl 2-[(4-bromo-2-methoxybenzoyl)-propylamino]acetate
CID 78987800
ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate
CID 97027871
ethyl 2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-propylamino]acetate
CID 78901943
ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate
CID 106853797
ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
CID 54898857
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 55003688
ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate
CID 61012902

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate (CID 79465658) is ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)c1cc(OC)cs1.
What is the InChIKey of ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate?
The InChIKey is BLMRKPCZOBSLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-4-6-14(8-12(15)18-5-2)13(16)11-7-10(17-3)9-19-11/h7,9H,4-6,8H2,1-3H3.
What are the key properties of ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate?
ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate has a molecular weight of 285.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate is sourced from PubChem (CID 79465658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).