4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

C12H19NO5S2 — CID 82948456

IUPAC4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCOCCN(C(C)C)S(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C12H19NO5S2/c1-8(2)13(5-6-18-4)20(16,17)11-7-10(12(14)15)19-9(11)3/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyKDNGCOOGKDGHSC-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.80
Rot. Bonds7

About 4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 82948456) has the molecular formula C12H19NO5S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID82948456
Molecular FormulaC12H19NO5S2
Molecular Weight321.42 g/mol
Exact Mass321.07
IUPAC Name4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCOCCN(C(C)C)S(=O)(=O)c1cc(C(=O)O)sc1C
InChIInChI=1S/C12H19NO5S2/c1-8(2)13(5-6-18-4)20(16,17)11-7-10(12(14)15)19-9(11)3/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyKDNGCOOGKDGHSC-UHFFFAOYSA-N
XLogP1.80
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328820
2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 82949234
4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328778
5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43269299
4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid
CID 43362638
4-amino-2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 102931550
5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60950189
4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329093
4-[3-(2-methoxyethyl)-4-oxoimidazolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 146093019
5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 112657989
methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate
CID 102920579
4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63973091

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 82948456) is 4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is COCCN(C(C)C)S(=O)(=O)c1cc(C(=O)O)sc1C.
What is the InChIKey of 4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is KDNGCOOGKDGHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S2/c1-8(2)13(5-6-18-4)20(16,17)11-7-10(12(14)15)19-9(11)3/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 321.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 82948456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).