5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide

C20H26N2O4S — CID 110297842

IUPAC5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCOc1ccc(CCCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-26-18-10-6-16(7-11-18)4-2-3-5-20(23)22-15-14-17-8-12-19(13-9-17)27(21,24)25/h6-13H,2-5,14-15H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyJEFRKLWTXGDTCU-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.41
Rot. Bonds10

About 5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide

5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide (PubChem CID 110297842) has the molecular formula C20H26N2O4S and a molecular weight of 390.50 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
PubChem CID110297842
Molecular FormulaC20H26N2O4S
Molecular Weight390.50 g/mol
Exact Mass390.16
IUPAC Name5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCOc1ccc(CCCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-26-18-10-6-16(7-11-18)4-2-3-5-20(23)22-15-14-17-8-12-19(13-9-17)27(21,24)25/h6-13H,2-5,14-15H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyJEFRKLWTXGDTCU-UHFFFAOYSA-N
XLogP2.41
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.41
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

N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111170022
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 16885174
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
4-(diaminomethylideneamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 118707446
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide (CID 110297842) is 5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide is COc1ccc(CCCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The InChIKey is JEFRKLWTXGDTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-26-18-10-6-16(7-11-18)4-2-3-5-20(23)22-15-14-17-8-12-19(13-9-17)27(21,24)25/h6-13H,2-5,14-15H2,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide has a molecular weight of 390.50 g/mol, XLogP of 2.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide is sourced from PubChem (CID 110297842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).