5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid

C13H21NO4S2 — CID 63328950

IUPAC5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC(C)CCC(C)C
InChIInChI=1S/C13H21NO4S2/c1-8(2)5-6-9(3)14-20(17,18)12-7-11(13(15)16)19-10(12)4/h7-9,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyXSQYOHXSAAOBOI-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.86
Rot. Bonds7

About 5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid

5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 63328950) has the molecular formula C13H21NO4S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID63328950
Molecular FormulaC13H21NO4S2
Molecular Weight319.45 g/mol
Exact Mass319.09
IUPAC Name5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NC(C)CCC(C)C
InChIInChI=1S/C13H21NO4S2/c1-8(2)5-6-9(3)14-20(17,18)12-7-11(13(15)16)19-10(12)4/h7-9,14H,5-6H2,1-4H3,(H,15,16)
InChIKeyXSQYOHXSAAOBOI-UHFFFAOYSA-N
XLogP2.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328909
5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 63329090
4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 55203054
5-methyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 63328643
4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328902
5-methyl-4-(pent-1-yn-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114160472
4-methyl-3-(5-methylhexan-2-ylsulfamoyl)benzoic acid
CID 43401328
5-methyl-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 63329135
4-(1-cyanobutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328576
4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63994247
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
4-[(2-amino-2-oxoethoxy)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 112672388

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 63328950) is 5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NC(C)CCC(C)C.
What is the InChIKey of 5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is XSQYOHXSAAOBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S2/c1-8(2)5-6-9(3)14-20(17,18)12-7-11(13(15)16)19-10(12)4/h7-9,14H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 319.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(5-methylhexan-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63328950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).