6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C19H26N2O5S — CID 119174414

IUPAC6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1
InChIInChI=1S/C19H26N2O5S/c1-3-13(2)20-27(25,26)15-6-4-14(5-7-15)17(22)21-10-8-19(9-11-21)12-16(19)18(23)24/h4-7,13,16,20H,3,8-12H2,1-2H3,(H,23,24)
InChIKeyOHOVPUQHHCTKNQ-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.09
Rot. Bonds6

About 6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119174414) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119174414
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1
InChIInChI=1S/C19H26N2O5S/c1-3-13(2)20-27(25,26)15-6-4-14(5-7-15)17(22)21-10-8-19(9-11-21)12-16(19)18(23)24/h4-7,13,16,20H,3,8-12H2,1-2H3,(H,23,24)
InChIKeyOHOVPUQHHCTKNQ-UHFFFAOYSA-N
XLogP2.09
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

6-(4-propan-2-ylsulfonylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136510
6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175388
6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175381
4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide
CID 55346373
(2S)-1-[4-(butan-2-ylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 45339369
4-[4-(butan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215860
N-butan-2-yl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55456258
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55915941
N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55376317
N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 51965937
4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 41309315

Frequently Asked Questions

What is the IUPAC name of 6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119174414) is 6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is CCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CC3C(=O)O)cc1.
What is the InChIKey of 6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is OHOVPUQHHCTKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-3-13(2)20-27(25,26)15-6-4-14(5-7-15)17(22)21-10-8-19(9-11-21)12-16(19)18(23)24/h4-7,13,16,20H,3,8-12H2,1-2H3,(H,23,24).
What are the key properties of 6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 394.49 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119174414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).