N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C20H22N4O4S — CID 24686309

IUPACN-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCn3ccnc3)c2)cc1
InChIInChI=1S/C20H22N4O4S/c1-28-18-8-6-17(7-9-18)23-29(26,27)19-5-2-4-16(14-19)20(25)22-10-3-12-24-13-11-21-15-24/h2,4-9,11,13-15,23H,3,10,12H2,1H3,(H,22,25)
InChIKeyDEVGTACVUQGGQF-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.51
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide

N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 24686309) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID24686309
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCn3ccnc3)c2)cc1
InChIInChI=1S/C20H22N4O4S/c1-28-18-8-6-17(7-9-18)23-29(26,27)19-5-2-4-16(14-19)20(25)22-10-3-12-24-13-11-21-15-24/h2,4-9,11,13-15,23H,3,10,12H2,1H3,(H,22,25)
InChIKeyDEVGTACVUQGGQF-UHFFFAOYSA-N
XLogP2.51
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 2874948
CID 2874948
CID 21310851
CID 21310851
CID 142737965
CID 142737965
CID 44263477
CID 44263477
CID 2432318
CID 2432318
CID 2545143
CID 2545143
CID 2883729
CID 2883729
CID 3559128
CID 3559128
CID 44589177
CID 44589177
CID 14739883
CID 14739883
CID 15999732
CID 15999732
CID 4845845
CID 4845845

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 24686309) is N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCn3ccnc3)c2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is DEVGTACVUQGGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-28-18-8-6-17(7-9-18)23-29(26,27)19-5-2-4-16(14-19)20(25)22-10-3-12-24-13-11-21-15-24/h2,4-9,11,13-15,23H,3,10,12H2,1H3,(H,22,25).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 414.49 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24686309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).