methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate

C11H11N3O4S2 — CID 102794851

IUPACmethyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C11H11N3O4S2/c1-7-5-19-9(11(15)18-2)10(7)20(16,17)14-8-3-12-6-13-4-8/h3-6,14H,1-2H3
InChIKeyZQHAKSZHBGWHSZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.43
Rot. Bonds4

About methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate

methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate (PubChem CID 102794851) has the molecular formula C11H11N3O4S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate
PubChem CID102794851
Molecular FormulaC11H11N3O4S2
Molecular Weight313.36 g/mol
Exact Mass313.02
IUPAC Namemethyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C11H11N3O4S2/c1-7-5-19-9(11(15)18-2)10(7)20(16,17)14-8-3-12-6-13-4-8/h3-6,14H,1-2H3
InChIKeyZQHAKSZHBGWHSZ-UHFFFAOYSA-N
XLogP1.43
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[(4-hydroxyphenyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748160
methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748048
methyl 4-methyl-3-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 102747582
methyl 4-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]thiophene-2-carboxylate
CID 102749094
methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 140994408
methyl 3-[(5-ethyl-1,3-thiazol-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 122150620
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107584635
methyl 3-(2-ethylbutylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749364
methyl 3-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102794926
methyl 3-[(2-hydroxy-3-methylbutyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749316
methyl 4-methyl-3-[(1-methylcyclobutyl)sulfamoyl]thiophene-2-carboxylate
CID 102749299
methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749254

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate (CID 102794851) is methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)Nc1cncnc1.
What is the InChIKey of methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is ZQHAKSZHBGWHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S2/c1-7-5-19-9(11(15)18-2)10(7)20(16,17)14-8-3-12-6-13-4-8/h3-6,14H,1-2H3.
What are the key properties of methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate?
methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 102794851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).