4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide

C21H28N2O4S — CID 54783642

IUPAC4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCCCCCCCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-2-3-4-5-6-15-27-19-11-9-18(10-12-19)21(24)23-16-17-7-13-20(14-8-17)28(22,25)26/h7-14H,2-6,15-16H2,1H3,(H,23,24)(H2,22,25,26)
InChIKeyDFKDSBFHKXJEFJ-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.61
Rot. Bonds11

About 4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide

4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 54783642) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID54783642
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCCCCCCCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-2-3-4-5-6-15-27-19-11-9-18(10-12-19)21(24)23-16-17-7-13-20(14-8-17)28(22,25)26/h7-14H,2-6,15-16H2,1H3,(H,23,24)(H2,22,25,26)
InChIKeyDFKDSBFHKXJEFJ-UHFFFAOYSA-N
XLogP3.61
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.61
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

4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17371674
4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108759021
4-heptoxy-N-(4-sulfamoylphenyl)benzamide
CID 4950602
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42981383
4-(3-piperidin-1-ylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 177234140
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 4842502
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
3-[[(4-hexoxybenzoyl)amino]carbamoyl]-4-methylbenzenesulfonamide
CID 24540229
N-[(4-sulfamoylphenyl)methyl]heptanamide
CID 4072326
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 54783642) is 4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide is CCCCCCCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is DFKDSBFHKXJEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-2-3-4-5-6-15-27-19-11-9-18(10-12-19)21(24)23-16-17-7-13-20(14-8-17)28(22,25)26/h7-14H,2-6,15-16H2,1H3,(H,23,24)(H2,22,25,26).
What are the key properties of 4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 54783642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).