ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate

C14H17NO3S2 — CID 78968119

IUPACethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1cc2sccc2s1
InChIInChI=1S/C14H17NO3S2/c1-3-6-15(9-13(16)18-4-2)14(17)12-8-11-10(20-12)5-7-19-11/h5,7-8H,3-4,6,9H2,1-2H3
InChIKeyWBPRFYQMLGNNJU-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.38
Rot. Bonds6

About ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate

ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate (PubChem CID 78968119) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
PubChem CID78968119
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Nameethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1cc2sccc2s1
InChIInChI=1S/C14H17NO3S2/c1-3-6-15(9-13(16)18-4-2)14(17)12-8-11-10(20-12)5-7-19-11/h5,7-8H,3-4,6,9H2,1-2H3
InChIKeyWBPRFYQMLGNNJU-UHFFFAOYSA-N
XLogP3.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate
CID 78916963
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propylthieno[3,2-b]thiophene-5-carboxamide
CID 80745942
ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate
CID 54898816
2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733581
ethyl 2-[(4-methoxythiophene-2-carbonyl)-propylamino]acetate
CID 79465658
2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733670
ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate
CID 61012902
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 55003688
ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate
CID 106853797
ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
CID 62615904
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 115782915
N-(2-hydroxyethyl)-N-pentan-3-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745480

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate (CID 78968119) is ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate is CCCN(CC(=O)OCC)C(=O)c1cc2sccc2s1.
What is the InChIKey of ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate?
The InChIKey is WBPRFYQMLGNNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-3-6-15(9-13(16)18-4-2)14(17)12-8-11-10(20-12)5-7-19-11/h5,7-8H,3-4,6,9H2,1-2H3.
What are the key properties of ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate?
ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate has a molecular weight of 311.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetate is sourced from PubChem (CID 78968119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).