[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

C13H9BrClNO5S — CID 7884019

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H9BrClNO5S/c14-10-3-1-8(21-10)13(19)16-5-12(18)20-6-7(17)9-2-4-11(15)22-9/h1-4H,5-6H2,(H,16,19)
InChIKeyGNSPEGUEBRZOFG-UHFFFAOYSA-N
MW406.64 g/mol
LogP2.91
Rot. Bonds6

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (PubChem CID 7884019) has the molecular formula C13H9BrClNO5S and a molecular weight of 406.64 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
PubChem CID7884019
Molecular FormulaC13H9BrClNO5S
Molecular Weight406.64 g/mol
Exact Mass404.91
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H9BrClNO5S/c14-10-3-1-8(21-10)13(19)16-5-12(18)20-6-7(17)9-2-4-11(15)22-9/h1-4H,5-6H2,(H,16,19)
InChIKeyGNSPEGUEBRZOFG-UHFFFAOYSA-N
XLogP2.91
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.64
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796053
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 42964685
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 2082274
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2510921
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662439
[2-(4-ethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883995
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 2412811
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 2457418
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899443
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899432
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (CID 7884019) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The InChIKey is GNSPEGUEBRZOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO5S/c14-10-3-1-8(21-10)13(19)16-5-12(18)20-6-7(17)9-2-4-11(15)22-9/h1-4H,5-6H2,(H,16,19).
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate has a molecular weight of 406.64 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 7884019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).