5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C13H21NO5S2 — CID 103223773

IUPAC5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCCOCC(NS(=O)(=O)c1cc(C)c(C(=O)O)s1)C(C)C
InChIInChI=1S/C13H21NO5S2/c1-5-19-7-10(8(2)3)14-21(17,18)11-6-9(4)12(20-11)13(15)16/h6,8,10,14H,5,7H2,1-4H3,(H,15,16)
InChIKeyHPNVNVJJVYDYCU-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.09
Rot. Bonds8

About 5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 103223773) has the molecular formula C13H21NO5S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID103223773
Molecular FormulaC13H21NO5S2
Molecular Weight335.45 g/mol
Exact Mass335.09
IUPAC Name5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCCOCC(NS(=O)(=O)c1cc(C)c(C(=O)O)s1)C(C)C
InChIInChI=1S/C13H21NO5S2/c1-5-19-7-10(8(2)3)14-21(17,18)11-6-9(4)12(20-11)13(15)16/h6,8,10,14H,5,7H2,1-4H3,(H,15,16)
InChIKeyHPNVNVJJVYDYCU-UHFFFAOYSA-N
XLogP2.09
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392
3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid
CID 82706091
3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 43706036
5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43533409
3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903686
N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106002536
4-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103223772
4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106093857
3-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115560
3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43708771
3-methyl-5-(5-methylhexylsulfamoyl)thiophene-2-carboxylic acid
CID 115325049
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
CID 43314508

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 103223773) is 5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is CCOCC(NS(=O)(=O)c1cc(C)c(C(=O)O)s1)C(C)C.
What is the InChIKey of 5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is HPNVNVJJVYDYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S2/c1-5-19-7-10(8(2)3)14-21(17,18)11-6-9(4)12(20-11)13(15)16/h6,8,10,14H,5,7H2,1-4H3,(H,15,16).
What are the key properties of 5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 335.45 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 103223773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).