(2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate

C14H12N2O6S2 — CID 2499563

IUPAC(2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate
SMILESNC(=O)COC(=O)c1ccc(-c2ccc(C(=O)OCC(N)=O)s2)s1
InChIInChI=1S/C14H12N2O6S2/c15-11(17)5-21-13(19)9-3-1-7(23-9)8-2-4-10(24-8)14(20)22-6-12(16)18/h1-4H,5-6H2,(H2,15,17)(H2,16,18)
InChIKeyQJVJHLJRNBCIIC-UHFFFAOYSA-N
MW368.39 g/mol
LogP0.76
Rot. Bonds7

About (2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate

(2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate (PubChem CID 2499563) has the molecular formula C14H12N2O6S2 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate
PubChem CID2499563
Molecular FormulaC14H12N2O6S2
Molecular Weight368.39 g/mol
Exact Mass368.01
IUPAC Name(2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate
SMILESNC(=O)COC(=O)c1ccc(-c2ccc(C(=O)OCC(N)=O)s2)s1
InChIInChI=1S/C14H12N2O6S2/c15-11(17)5-21-13(19)9-3-1-7(23-9)8-2-4-10(24-8)14(20)22-6-12(16)18/h1-4H,5-6H2,(H2,15,17)(H2,16,18)
InChIKeyQJVJHLJRNBCIIC-UHFFFAOYSA-N
XLogP0.76
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate (CID 2499563) is (2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate is NC(=O)COC(=O)c1ccc(-c2ccc(C(=O)OCC(N)=O)s2)s1.
What is the InChIKey of (2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate?
The InChIKey is QJVJHLJRNBCIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6S2/c15-11(17)5-21-13(19)9-3-1-7(23-9)8-2-4-10(24-8)14(20)22-6-12(16)18/h1-4H,5-6H2,(H2,15,17)(H2,16,18).
What are the key properties of (2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate?
(2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate is sourced from PubChem (CID 2499563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).