2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid

C11H11NO5S2 — CID 29040889

IUPAC2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCc2ccco2)s1
InChIInChI=1S/C11H11NO5S2/c13-10(14)6-9-3-4-11(18-9)19(15,16)12-7-8-2-1-5-17-8/h1-5,12H,6-7H2,(H,13,14)
InChIKeyJZPMXZVKDKEDMO-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.45
Rot. Bonds6

About 2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid

2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid (PubChem CID 29040889) has the molecular formula C11H11NO5S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
PubChem CID29040889
Molecular FormulaC11H11NO5S2
Molecular Weight301.35 g/mol
Exact Mass301.01
IUPAC Name2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCc2ccco2)s1
InChIInChI=1S/C11H11NO5S2/c13-10(14)6-9-3-4-11(18-9)19(15,16)12-7-8-2-1-5-17-8/h1-5,12H,6-7H2,(H,13,14)
InChIKeyJZPMXZVKDKEDMO-UHFFFAOYSA-N
XLogP1.45
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid (CID 29040889) is 2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)NCc2ccco2)s1.
What is the InChIKey of 2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid?
The InChIKey is JZPMXZVKDKEDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5S2/c13-10(14)6-9-3-4-11(18-9)19(15,16)12-7-8-2-1-5-17-8/h1-5,12H,6-7H2,(H,13,14).
What are the key properties of 2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid?
2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid has a molecular weight of 301.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 29040889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).