5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid

C10H15NO5S2 — CID 64604413

IUPAC5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCOCCC(C)NS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H15NO5S2/c1-7(5-6-16-2)11-18(14,15)9-4-3-8(17-9)10(12)13/h3-4,7,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyOBRFHPRQGXSADY-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.15
Rot. Bonds7

About 5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid

5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 64604413) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID64604413
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCOCCC(C)NS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H15NO5S2/c1-7(5-6-16-2)11-18(14,15)9-4-3-8(17-9)10(12)13/h3-4,7,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyOBRFHPRQGXSADY-UHFFFAOYSA-N
XLogP1.15
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63867055
4-methoxy-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 62478448
5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106156119
5-(4-methoxybutan-2-ylsulfamoyl)-2,4-dimethylbenzoic acid
CID 64604818
2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide
CID 64603615
5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81404136
5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid
CID 106003735
5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 106067439
5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61027369
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 64604213
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81077958

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 64604413) is 5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid is COCCC(C)NS(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is OBRFHPRQGXSADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-7(5-6-16-2)11-18(14,15)9-4-3-8(17-9)10(12)13/h3-4,7,11H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 64604413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).