5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid

C8H11NO4S2 — CID 82096774

IUPAC5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NS(C)(=O)=O)s1
InChIInChI=1S/C8H11NO4S2/c1-3-5-4-6(8(10)11)7(14-5)9-15(2,12)13/h4,9H,3H2,1-2H3,(H,10,11)
InChIKeyHYABLDUSUYPVQW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.38
Rot. Bonds4

About 5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid

5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid (PubChem CID 82096774) has the molecular formula C8H11NO4S2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid
PubChem CID82096774
Molecular FormulaC8H11NO4S2
Molecular Weight249.31 g/mol
Exact Mass249.01
IUPAC Name5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NS(C)(=O)=O)s1
InChIInChI=1S/C8H11NO4S2/c1-3-5-4-6(8(10)11)7(14-5)9-15(2,12)13/h4,9H,3H2,1-2H3,(H,10,11)
InChIKeyHYABLDUSUYPVQW-UHFFFAOYSA-N
XLogP1.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63615629
5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 876996
2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid
CID 55249146
ethyl 2-(tert-butylsulfamoylamino)-5-ethylthiophene-3-carboxylate
CID 114811418
2-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-5-ethylthiophene-3-carboxylic acid
CID 69052757
5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921506
2-(3-ethoxypropanoylamino)-5-ethylthiophene-3-carboxylic acid
CID 63614331
5-ethyl-2-[(3-ethylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615151
5-ethyl-2-(thiophene-3-carbonylamino)thiophene-3-carboxylic acid
CID 63616182
5-ethyl-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 28865516
ethyl 2-(3-chloropropylsulfonylamino)-5-ethylthiophene-3-carboxylate
CID 43654266

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid (CID 82096774) is 5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NS(C)(=O)=O)s1.
What is the InChIKey of 5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid?
The InChIKey is HYABLDUSUYPVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S2/c1-3-5-4-6(8(10)11)7(14-5)9-15(2,12)13/h4,9H,3H2,1-2H3,(H,10,11).
What are the key properties of 5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid?
5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid is sourced from PubChem (CID 82096774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).