N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide

C18H18N4O3S — CID 131914367

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C18H18N4O3S/c1-13-6-7-15(26(19,24)25)10-16(13)18(23)21-11-14-4-2-3-5-17(14)22-9-8-20-12-22/h2-10,12H,11H2,1H3,(H,21,23)(H2,19,24,25)
InChIKeyFETYQDGLTQUQJJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.76
Rot. Bonds5

About N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide

N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide (PubChem CID 131914367) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide
PubChem CID131914367
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C18H18N4O3S/c1-13-6-7-15(26(19,24)25)10-16(13)18(23)21-11-14-4-2-3-5-17(14)22-9-8-20-12-22/h2-10,12H,11H2,1H3,(H,21,23)(H2,19,24,25)
InChIKeyFETYQDGLTQUQJJ-UHFFFAOYSA-N
XLogP1.76
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-ylsulfonyl)-N-[(2-imidazol-1-ylphenyl)methyl]-2-methylbenzamide
CID 46763297
N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771026
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide
CID 92672176
N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 92680681
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 46773015
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 47799498
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide
CID 157017292
3-(benzenesulfonamido)-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 28565306
1-[(2-imidazol-1-ylphenyl)methyl]-3-(5-methoxy-2-methylphenyl)urea
CID 71970578
4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 46772327
5-(azepan-1-ylsulfonyl)-2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 30385578

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide (CID 131914367) is N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1-n1ccnc1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide?
The InChIKey is FETYQDGLTQUQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13-6-7-15(26(19,24)25)10-16(13)18(23)21-11-14-4-2-3-5-17(14)22-9-8-20-12-22/h2-10,12H,11H2,1H3,(H,21,23)(H2,19,24,25).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide?
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide has a molecular weight of 370.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 131914367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).