N-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide

C20H22N4O4S — CID 25162903

IUPACN-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C20H22N4O4S/c1-28-19-6-3-2-5-18(19)23-29(26,27)17-9-7-16(8-10-17)20(25)22-11-4-13-24-14-12-21-15-24/h2-3,5-10,12,14-15,23H,4,11,13H2,1H3,(H,22,25)
InChIKeyXKNAKEBCBBNAHK-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.51
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide

N-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 25162903) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID25162903
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C20H22N4O4S/c1-28-19-6-3-2-5-18(19)23-29(26,27)17-9-7-16(8-10-17)20(25)22-11-4-13-24-14-12-21-15-24/h2-3,5-10,12,14-15,23H,4,11,13H2,1H3,(H,22,25)
InChIKeyXKNAKEBCBBNAHK-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

N-((Z)-1-(((3-(1H-Imidazol-1-YL)propyl)amino)carbonyl)-2-(4-methoxyphenyl)ethenyl)-4-methylbenzamide
CID 2874948
Azole, 9
CID 11704652
N-Hydroxy-3-imidazol-1-ylmethyl-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-benzamide
CID 21310851
5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 3559128
4-(1H-imidazol-1-yl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide
CID 11568232
N-[4-[3-(3-Methoxyphenyl)piperazin-1-yl]propyl]-4-(1Himidazol-1-yl)benzamide
CID 44589175
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 3903325
N-Furan-2-ylmethyl-N-(1-methyl-1H-imidazol-2-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328282
N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 127049151
2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)-7-(methylsulfonyl)quinazolin-4(3H)-one
CID 136030609
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 4845845
N-[(1E)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5909859

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 25162903) is N-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is XKNAKEBCBBNAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-28-19-6-3-2-5-18(19)23-29(26,27)17-9-7-16(8-10-17)20(25)22-11-4-13-24-14-12-21-15-24/h2-3,5-10,12,14-15,23H,4,11,13H2,1H3,(H,22,25).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-(3-imidazol-1-ylpropyl)-4-[(2-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)-4-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 25162903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).