2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid

C12H13NO5S2 — CID 61221699

IUPAC2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(Cc1ccoc1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H13NO5S2/c1-13(7-9-4-5-18-8-9)20(16,17)12-3-2-10(19-12)6-11(14)15/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyFQYPUXPHSJLFBU-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.79
Rot. Bonds6

About 2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 61221699) has the molecular formula C12H13NO5S2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID61221699
Molecular FormulaC12H13NO5S2
Molecular Weight315.37 g/mol
Exact Mass315.02
IUPAC Name2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCN(Cc1ccoc1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C12H13NO5S2/c1-13(7-9-4-5-18-8-9)20(16,17)12-3-2-10(19-12)6-11(14)15/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyFQYPUXPHSJLFBU-UHFFFAOYSA-N
XLogP1.79
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 71804111
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CID 71804113
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CID 71804126
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CID 71804201
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CID 71804203
CID 71804203
CID 71804213
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CID 71804217
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CID 29040889
CID 29040889

Frequently Asked Questions

What is the IUPAC name of 2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 61221699) is 2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid is CN(Cc1ccoc1)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is FQYPUXPHSJLFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S2/c1-13(7-9-4-5-18-8-9)20(16,17)12-3-2-10(19-12)6-11(14)15/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 315.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[furan-3-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 61221699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).