6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid

C17H26N2O5S — CID 119219755

IUPAC6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C17H26N2O5S/c1-17(2,3)19-25(23,24)14-10-8-13(9-11-14)16(22)18-12-6-4-5-7-15(20)21/h8-11,19H,4-7,12H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyLPVKTDUMZOPMPY-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.14
Rot. Bonds9

About 6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid

6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid (PubChem CID 119219755) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid
PubChem CID119219755
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCCCCC(=O)O)cc1
InChIInChI=1S/C17H26N2O5S/c1-17(2,3)19-25(23,24)14-10-8-13(9-11-14)16(22)18-12-6-4-5-7-15(20)21/h8-11,19H,4-7,12H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyLPVKTDUMZOPMPY-UHFFFAOYSA-N
XLogP2.14
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119234298
N-(3-aminopropyl)-4-(tert-butylsulfamoyl)benzamide
CID 119405530
4-(tert-butylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119505424
N-[3-(azepan-1-yl)propyl]-4-(tert-butylsulfamoyl)benzamide
CID 30942643
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234171
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
7-[[4-[4-[(2-methylcycloprop-2-ene-1-carbonyl)amino]butanoylsulfamoyl]benzoyl]amino]heptanoic acid
CID 170959681
7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid
CID 119350798
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid?
The IUPAC name of 6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid (CID 119219755) is 6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCCCCCC(=O)O)cc1.
What is the InChIKey of 6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid?
The InChIKey is LPVKTDUMZOPMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-17(2,3)19-25(23,24)14-10-8-13(9-11-14)16(22)18-12-6-4-5-7-15(20)21/h8-11,19H,4-7,12H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid?
6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid has a molecular weight of 370.47 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(tert-butylsulfamoyl)benzoyl]amino]hexanoic acid is sourced from PubChem (CID 119219755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).