5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid

C13H15NO7S — CID 154743279

IUPAC5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid
SMILESCOCC(NS(=O)(=O)c1cc(C(=O)O)co1)c1ccc(C)o1
InChIInChI=1S/C13H15NO7S/c1-8-3-4-11(21-8)10(7-19-2)14-22(17,18)12-5-9(6-20-12)13(15)16/h3-6,10,14H,7H2,1-2H3,(H,15,16)
InChIKeyZFEQHYOZXSPCTN-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.55
Rot. Bonds7

About 5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid

5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid (PubChem CID 154743279) has the molecular formula C13H15NO7S and a molecular weight of 329.33 g/mol. Its IUPAC name is 5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid
PubChem CID154743279
Molecular FormulaC13H15NO7S
Molecular Weight329.33 g/mol
Exact Mass329.06
IUPAC Name5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid
SMILESCOCC(NS(=O)(=O)c1cc(C(=O)O)co1)c1ccc(C)o1
InChIInChI=1S/C13H15NO7S/c1-8-3-4-11(21-8)10(7-19-2)14-22(17,18)12-5-9(6-20-12)13(15)16/h3-6,10,14H,7H2,1-2H3,(H,15,16)
InChIKeyZFEQHYOZXSPCTN-UHFFFAOYSA-N
XLogP1.55
TPSA118.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid with MolForge

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Related Compounds

4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]-1,2-thiazole-3-carboxylic acid
CID 154746676
4-[[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122004789
4-[[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamoyl]benzoic acid
CID 120552756
3-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]-5-nitrobenzoic acid
CID 119185523
4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673694
[2-methoxy-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105321671
2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 111562734
3-[(3,5-difluorophenyl)sulfonylamino]-3-(5-methylfuran-2-yl)propanoic acid
CID 154862933
2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone
CID 75504575
5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43229148
3-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 106155850
N-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124608580

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid (CID 154743279) is 5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid is COCC(NS(=O)(=O)c1cc(C(=O)O)co1)c1ccc(C)o1.
What is the InChIKey of 5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid?
The InChIKey is ZFEQHYOZXSPCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO7S/c1-8-3-4-11(21-8)10(7-19-2)14-22(17,18)12-5-9(6-20-12)13(15)16/h3-6,10,14H,7H2,1-2H3,(H,15,16).
What are the key properties of 5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid?
5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid has a molecular weight of 329.33 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]sulfamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 154743279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).