5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid

C12H13NO5S2 — CID 79486620

IUPAC5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(CCc1cccs1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H13NO5S2/c1-13(7-6-9-3-2-8-19-9)20(16,17)11-5-4-10(18-11)12(14)15/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyHJIISVGTAZAYDS-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.90
Rot. Bonds6

About 5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid

5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 79486620) has the molecular formula C12H13NO5S2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID79486620
Molecular FormulaC12H13NO5S2
Molecular Weight315.37 g/mol
Exact Mass315.02
IUPAC Name5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(CCc1cccs1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H13NO5S2/c1-13(7-6-9-3-2-8-19-9)20(16,17)11-5-4-10(18-11)12(14)15/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyHJIISVGTAZAYDS-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 29077623
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79494682
5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]furan-2-carboxylic acid
CID 60951268
5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 60951027
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
CID 146121375
2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 79488468
3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]propanoic acid
CID 79019132
3-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79488125
5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79476559
2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79494602
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79488304
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
CID 79488126

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid (CID 79486620) is 5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid is CN(CCc1cccs1)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is HJIISVGTAZAYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S2/c1-13(7-6-9-3-2-8-19-9)20(16,17)11-5-4-10(18-11)12(14)15/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of 5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid?
5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 79486620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).