5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid

C12H19NO5S2 — CID 61066900

IUPAC5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCC(C)N(CCOC)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C12H19NO5S2/c1-4-9(2)13(5-6-18-3)20(16,17)11-7-10(8-19-11)12(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyDDQGQNAWUUZZFY-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.88
Rot. Bonds8

About 5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid

5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 61066900) has the molecular formula C12H19NO5S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID61066900
Molecular FormulaC12H19NO5S2
Molecular Weight321.42 g/mol
Exact Mass321.07
IUPAC Name5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCC(C)N(CCOC)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C12H19NO5S2/c1-4-9(2)13(5-6-18-3)20(16,17)11-7-10(8-19-11)12(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyDDQGQNAWUUZZFY-UHFFFAOYSA-N
XLogP1.88
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[butan-2-yl(2-methoxyethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873369
5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid
CID 79477660
N-butan-2-yl-2-(chloromethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide
CID 102750576
3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61060900
5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 60951577
5-amino-N-butan-2-yl-N-(2-methoxyethyl)-4-nitrothiophene-2-sulfonamide
CID 80730693
5-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 112657971
5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 45298932
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide
CID 61061226
N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 102919797
5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104656510

Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid (CID 61066900) is 5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid is CCC(C)N(CCOC)S(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is DDQGQNAWUUZZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S2/c1-4-9(2)13(5-6-18-3)20(16,17)11-7-10(8-19-11)12(14)15/h7-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 321.42 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 61066900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).