4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide

C20H23N5O3S — CID 46772327

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1
InChIInChI=1S/C20H23N5O3S/c1-23(2)29(27,28)24(3)18-10-8-16(9-11-18)20(26)22-14-17-6-4-5-7-19(17)25-13-12-21-15-25/h4-13,15H,14H2,1-3H3,(H,22,26)
InChIKeyKHAJXXZVFTWUBO-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.04
Rot. Bonds7

About 4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide

4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide (PubChem CID 46772327) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
PubChem CID46772327
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1
InChIInChI=1S/C20H23N5O3S/c1-23(2)29(27,28)24(3)18-10-8-16(9-11-18)20(26)22-14-17-6-4-5-7-19(17)25-13-12-21-15-25/h4-13,15H,14H2,1-3H3,(H,22,26)
InChIKeyKHAJXXZVFTWUBO-UHFFFAOYSA-N
XLogP2.04
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 92680681
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 92671763
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 30394400
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28633540
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30390230
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 43908168
3-(benzenesulfonamido)-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 28565306
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 46773015
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide
CID 131914367
4-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-3-nitrobenzamide
CID 30378175
3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide
CID 136578908

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide (CID 46772327) is 4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide is CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?
The InChIKey is KHAJXXZVFTWUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-23(2)29(27,28)24(3)18-10-8-16(9-11-18)20(26)22-14-17-6-4-5-7-19(17)25-13-12-21-15-25/h4-13,15H,14H2,1-3H3,(H,22,26).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide has a molecular weight of 413.50 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 46772327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).