4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C20H26N2O4S — CID 17371674

IUPAC4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCCCCCOc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-2-3-4-15-26-18-9-7-17(8-10-18)20(23)22-14-13-16-5-11-19(12-6-16)27(21,24)25/h5-12H,2-4,13-15H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyFUCMGZHMQIHEQW-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.88
Rot. Bonds10

About 4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 17371674) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID17371674
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCCCCCOc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-2-3-4-15-26-18-9-7-17(8-10-18)20(23)22-14-13-16-5-11-19(12-6-16)27(21,24)25/h5-12H,2-4,13-15H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyFUCMGZHMQIHEQW-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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-sulfamoylphenyl)methyl]benzamide
CID 54783642
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 4842502
4-(2-fluoroethoxy)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 75047493
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
4-heptoxy-N-(4-sulfamoylphenyl)benzamide
CID 4950602
3-[[4-[7-(4-pentylphenoxy)heptyl]benzoyl]amino]propanoic acid
CID 67486020
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-[2-(3,4-diethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 26851304
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42981383

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 17371674) is 4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is CCCCCOc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is FUCMGZHMQIHEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-2-3-4-15-26-18-9-7-17(8-10-18)20(23)22-14-13-16-5-11-19(12-6-16)27(21,24)25/h5-12H,2-4,13-15H2,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 17371674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).