5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid

C12H19NO4S2 — CID 79477660

IUPAC5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C12H19NO4S2/c1-4-9(3)7-13(5-2)19(16,17)11-6-10(8-18-11)12(14)15/h6,8-9H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyOHBWRVUPJWRMFT-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.50
Rot. Bonds7

About 5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid

5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 79477660) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID79477660
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C12H19NO4S2/c1-4-9(3)7-13(5-2)19(16,17)11-6-10(8-18-11)12(14)15/h6,8-9H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyOHBWRVUPJWRMFT-UHFFFAOYSA-N
XLogP2.50
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl(2-methylbutyl)sulfamoyl]-4-fluorobenzoic acid
CID 79482166
5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 60951577
5-[butan-2-yl(2-methoxyethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 61066900
4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79477252
4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79477863
5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 45298932
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
4-amino-2-[ethyl(2-methylbutyl)sulfamoyl]benzoic acid
CID 102931373
1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 79482168
2-[ethyl(2-methylbutyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919577
5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104656510
N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide
CID 79470903

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid (CID 79477660) is 5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid is CCC(C)CN(CC)S(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is OHBWRVUPJWRMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-4-9(3)7-13(5-2)19(16,17)11-6-10(8-18-11)12(14)15/h6,8-9H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 305.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-methylbutyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 79477660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).