N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C18H28N2O4S — CID 51339257

IUPACN-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCCCCCCNC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H28N2O4S/c1-2-3-4-5-12-19-18(21)15-8-10-17(11-9-15)25(22,23)20-14-16-7-6-13-24-16/h8-11,16,20H,2-7,12-14H2,1H3,(H,19,21)
InChIKeyZZFUKISOSDQZIH-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.45
Rot. Bonds10

About N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 51339257) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID51339257
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCCCCCCNC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H28N2O4S/c1-2-3-4-5-12-19-18(21)15-8-10-17(11-9-15)25(22,23)20-14-16-7-6-13-24-16/h8-11,16,20H,2-7,12-14H2,1H3,(H,19,21)
InChIKeyZZFUKISOSDQZIH-UHFFFAOYSA-N
XLogP2.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide
CID 24552448
N-[3-(N-ethylanilino)propyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46655859
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9224830
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
1-hexyl-2-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111072778
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-[2-(4-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9392189
4-butoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 17147023
4-butyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682480
N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
CID 109063938

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 51339257) is N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide is CCCCCCNC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is ZZFUKISOSDQZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-2-3-4-5-12-19-18(21)15-8-10-17(11-9-15)25(22,23)20-14-16-7-6-13-24-16/h8-11,16,20H,2-7,12-14H2,1H3,(H,19,21).
What are the key properties of N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 368.50 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 51339257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).