4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide

C23H32N2O4S — CID 4950690

IUPAC4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCC)cc2)cc1
InChIInChI=1S/C23H32N2O4S/c1-3-5-6-7-8-18-29-21-13-9-19(10-14-21)23(26)25-20-11-15-22(16-12-20)30(27,28)24-17-4-2/h9-16,24H,3-8,17-18H2,1-2H3,(H,25,26)
InChIKeyCWGQVJAUJJAIBY-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.98
Rot. Bonds13

About 4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide

4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide (PubChem CID 4950690) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
PubChem CID4950690
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCC)cc2)cc1
InChIInChI=1S/C23H32N2O4S/c1-3-5-6-7-8-18-29-21-13-9-19(10-14-21)23(26)25-20-11-15-22(16-12-20)30(27,28)24-17-4-2/h9-16,24H,3-8,17-18H2,1-2H3,(H,25,26)
InChIKeyCWGQVJAUJJAIBY-UHFFFAOYSA-N
XLogP4.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
4-heptoxy-N-(4-sulfamoylphenyl)benzamide
CID 4950602
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
CID 17160198
N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide
CID 4935093
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
4-ethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17108469
4-hexoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108759021
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide
CID 4933660

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide (CID 4950690) is 4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide is CCCCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCC)cc2)cc1.
What is the InChIKey of 4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide?
The InChIKey is CWGQVJAUJJAIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-3-5-6-7-8-18-29-21-13-9-19(10-14-21)23(26)25-20-11-15-22(16-12-20)30(27,28)24-17-4-2/h9-16,24H,3-8,17-18H2,1-2H3,(H,25,26).
What are the key properties of 4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide?
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide has a molecular weight of 432.59 g/mol, XLogP of 4.98, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4950690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).