4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide

C23H32N2O5S — CID 108759021

IUPAC4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)cc1
InChIInChI=1S/C23H32N2O5S/c1-3-4-5-6-16-30-21-11-9-20(10-12-21)23(26)24-18-19-7-13-22(14-8-19)31(27,28)25-15-17-29-2/h7-14,25H,3-6,15-18H2,1-2H3,(H,24,26)
InChIKeyPIUVXOUOIZNPTM-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.50
Rot. Bonds14

About 4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide

4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 108759021) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is 4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
PubChem CID108759021
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC Name4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)cc1
InChIInChI=1S/C23H32N2O5S/c1-3-4-5-6-16-30-21-11-9-20(10-12-21)23(26)24-18-19-7-13-22(14-8-19)31(27,28)25-15-17-29-2/h7-14,25H,3-6,15-18H2,1-2H3,(H,24,26)
InChIKeyPIUVXOUOIZNPTM-UHFFFAOYSA-N
XLogP3.50
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.50
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

4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783642
4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108759094
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(4-methylphenoxy)butanamide
CID 108759077
N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 34190671
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 108736002
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55620834
4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17371674

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide (CID 108759021) is 4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide is CCCCCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)cc1.
What is the InChIKey of 4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is PIUVXOUOIZNPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-3-4-5-6-16-30-21-11-9-20(10-12-21)23(26)24-18-19-7-13-22(14-8-19)31(27,28)25-15-17-29-2/h7-14,25H,3-6,15-18H2,1-2H3,(H,24,26).
What are the key properties of 4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide?
4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 448.59 g/mol, XLogP of 3.50, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 108759021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).