5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid

C11H11NO5S2 — CID 62803440

IUPAC5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C11H11NO5S2/c1-7-10(5-9(17-7)11(13)14)19(15,16)12-6-8-3-2-4-18-8/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyNEUDFFQZWHJGNX-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.83
Rot. Bonds5

About 5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid

5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62803440) has the molecular formula C11H11NO5S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
PubChem CID62803440
Molecular FormulaC11H11NO5S2
Molecular Weight301.35 g/mol
Exact Mass301.01
IUPAC Name5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C11H11NO5S2/c1-7-10(5-9(17-7)11(13)14)19(15,16)12-6-8-3-2-4-18-8/h2-5,12H,6H2,1H3,(H,13,14)
InChIKeyNEUDFFQZWHJGNX-UHFFFAOYSA-N
XLogP1.83
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803418
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
4-[(2-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805041
4-[(3-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804872
5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 63280665
4-bromo-3-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 104654364
5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
CID 99775173
2-methyl-5-(1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)furan-3-sulfonamide
CID 46292566
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 154742165
2-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 2447471

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid (CID 62803440) is 5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of 5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is NEUDFFQZWHJGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5S2/c1-7-10(5-9(17-7)11(13)14)19(15,16)12-6-8-3-2-4-18-8/h2-5,12H,6H2,1H3,(H,13,14).
What are the key properties of 5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62803440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).