[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

C17H18N2O8S — CID 55643782

IUPAC[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCCOC(=O)CN(C(=O)COC(=O)c1ccc(S(N)(=O)=O)o1)c1ccccc1
InChIInChI=1S/C17H18N2O8S/c1-2-25-15(21)10-19(12-6-4-3-5-7-12)14(20)11-26-17(22)13-8-9-16(27-13)28(18,23)24/h3-9H,2,10-11H2,1H3,(H2,18,23,24)
InChIKeyPEXQWUQZTGPMTQ-UHFFFAOYSA-N
MW410.40 g/mol
LogP0.68
Rot. Bonds8

About [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 55643782) has the molecular formula C17H18N2O8S and a molecular weight of 410.40 g/mol. Its IUPAC name is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
PubChem CID55643782
Molecular FormulaC17H18N2O8S
Molecular Weight410.40 g/mol
Exact Mass410.08
IUPAC Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCCOC(=O)CN(C(=O)COC(=O)c1ccc(S(N)(=O)=O)o1)c1ccccc1
InChIInChI=1S/C17H18N2O8S/c1-2-25-15(21)10-19(12-6-4-3-5-7-12)14(20)11-26-17(22)13-8-9-16(27-13)28(18,23)24/h3-9H,2,10-11H2,1H3,(H2,18,23,24)
InChIKeyPEXQWUQZTGPMTQ-UHFFFAOYSA-N
XLogP0.68
TPSA146.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (CID 55643782) is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is CCOC(=O)CN(C(=O)COC(=O)c1ccc(S(N)(=O)=O)o1)c1ccccc1.
What is the InChIKey of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is PEXQWUQZTGPMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O8S/c1-2-25-15(21)10-19(12-6-4-3-5-7-12)14(20)11-26-17(22)13-8-9-16(27-13)28(18,23)24/h3-9H,2,10-11H2,1H3,(H2,18,23,24).
What are the key properties of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 410.40 g/mol, XLogP of 0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55643782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).