4-heptoxy-N-(4-sulfamoylphenyl)benzamide

C20H26N2O4S — CID 4950602

IUPAC4-heptoxy-N-(4-sulfamoylphenyl)benzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-2-3-4-5-6-15-26-18-11-7-16(8-12-18)20(23)22-17-9-13-19(14-10-17)27(21,24)25/h7-14H,2-6,15H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyWNOFATPKJJSQRK-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.94
Rot. Bonds10

About 4-heptoxy-N-(4-sulfamoylphenyl)benzamide

4-heptoxy-N-(4-sulfamoylphenyl)benzamide (PubChem CID 4950602) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-heptoxy-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-heptoxy-N-(4-sulfamoylphenyl)benzamide
PubChem CID4950602
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-heptoxy-N-(4-sulfamoylphenyl)benzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-2-3-4-5-6-15-26-18-11-7-16(8-12-18)20(23)22-17-9-13-19(14-10-17)27(21,24)25/h7-14H,2-6,15H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyWNOFATPKJJSQRK-UHFFFAOYSA-N
XLogP3.94
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.94
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-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690
4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide
CID 2121886
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783642
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
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-iodophenyl)-4-pentoxybenzamide
CID 4935000
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide
CID 4933660
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-heptoxy-N-(4-sulfamoylphenyl)benzamide (CID 4950602) is 4-heptoxy-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-heptoxy-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-heptoxy-N-(4-sulfamoylphenyl)benzamide is CCCCCCCOc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-heptoxy-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is WNOFATPKJJSQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-2-3-4-5-6-15-26-18-11-7-16(8-12-18)20(23)22-17-9-13-19(14-10-17)27(21,24)25/h7-14H,2-6,15H2,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 4-heptoxy-N-(4-sulfamoylphenyl)benzamide?
4-heptoxy-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.94, 10 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)benzamide is sourced from PubChem (CID 4950602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).