4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid

C13H14N2O4S2 — CID 102748027

IUPAC4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C13H14N2O4S2/c1-8-7-20-11(13(16)17)12(8)21(18,19)15-9(2)10-5-3-4-6-14-10/h3-7,9,15H,1-2H3,(H,16,17)
InChIKeyCGLHMAKLOFTPHV-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.19
Rot. Bonds5

About 4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid

4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 102748027) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID102748027
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C13H14N2O4S2/c1-8-7-20-11(13(16)17)12(8)21(18,19)15-9(2)10-5-3-4-6-14-10/h3-7,9,15H,1-2H3,(H,16,17)
InChIKeyCGLHMAKLOFTPHV-UHFFFAOYSA-N
XLogP2.19
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102748091
4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102747453
5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81392372
3-(5-hydroxypentan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid
CID 102749031
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81400706
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
4-methyl-3-(octan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102748162
5-bromo-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-sulfonamide
CID 79932663
1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43420085
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81393153

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid (CID 102748027) is 4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)NC(C)c1ccccn1.
What is the InChIKey of 4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is CGLHMAKLOFTPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-8-7-20-11(13(16)17)12(8)21(18,19)15-9(2)10-5-3-4-6-14-10/h3-7,9,15H,1-2H3,(H,16,17).
What are the key properties of 4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid?
4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 102748027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).