5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid

C12H13NO5S2 — CID 43229148

IUPAC5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(C(=O)O)cs2)o1
InChIInChI=1S/C12H13NO5S2/c1-7-3-4-10(18-7)8(2)13-20(16,17)11-5-9(6-19-11)12(14)15/h3-6,8,13H,1-2H3,(H,14,15)
InChIKeySJDUMEFTZGVYIQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.39
Rot. Bonds5

About 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid

5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid (PubChem CID 43229148) has the molecular formula C12H13NO5S2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
PubChem CID43229148
Molecular FormulaC12H13NO5S2
Molecular Weight315.37 g/mol
Exact Mass315.02
IUPAC Name5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(C(=O)O)cs2)o1
InChIInChI=1S/C12H13NO5S2/c1-7-3-4-10(18-7)8(2)13-20(16,17)11-5-9(6-19-11)12(14)15/h3-6,8,13H,1-2H3,(H,14,15)
InChIKeySJDUMEFTZGVYIQ-UHFFFAOYSA-N
XLogP2.39
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81409119
5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81354446
5-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43432380
5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81374909
5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide
CID 29355029
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 43498976
5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 104654871
5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 61068619
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926
5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56795843

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid (CID 43229148) is 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid is Cc1ccc(C(C)NS(=O)(=O)c2cc(C(=O)O)cs2)o1.
What is the InChIKey of 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is SJDUMEFTZGVYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S2/c1-7-3-4-10(18-7)8(2)13-20(16,17)11-5-9(6-19-11)12(14)15/h3-6,8,13H,1-2H3,(H,14,15).
What are the key properties of 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid?
5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 43229148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).