5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid

C12H19NO5S2 — CID 106003735

IUPAC5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(C)OCCCCNS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H19NO5S2/c1-9(2)18-8-4-3-7-13-20(16,17)11-6-5-10(19-11)12(14)15/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyFZQXZYODNMOOTR-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.93
Rot. Bonds9

About 5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid

5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 106003735) has the molecular formula C12H19NO5S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID106003735
Molecular FormulaC12H19NO5S2
Molecular Weight321.42 g/mol
Exact Mass321.07
IUPAC Name5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(C)OCCCCNS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H19NO5S2/c1-9(2)18-8-4-3-7-13-20(16,17)11-6-5-10(19-11)12(14)15/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyFZQXZYODNMOOTR-UHFFFAOYSA-N
XLogP1.93
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid
CID 106003753
4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106011750
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 64604413
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114615365
5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 62976488
5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]thiophene-2-carbothioamide
CID 106270991
4-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 113449953
5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
CID 66171444
5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61027372
2-(4-propan-2-yloxybutylamino)-1,3-thiazole-5-carboxylic acid
CID 106006404
2-(hydroxymethyl)-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106014448

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid (CID 106003735) is 5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid is CC(C)OCCCCNS(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is FZQXZYODNMOOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S2/c1-9(2)18-8-4-3-7-13-20(16,17)11-6-5-10(19-11)12(14)15/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid?
5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 321.42 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 106003735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).