N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C25H24N4O3S — CID 92680681

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-19-7-13-23(14-8-19)33(31,32)28(2)22-11-9-20(10-12-22)25(30)27-17-21-5-3-4-6-24(21)29-16-15-26-18-29/h3-16,18H,17H2,1-2H3,(H,27,30)
InChIKeyCUPIYCVCRCCDKT-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.94
Rot. Bonds7

About N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 92680681) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID92680681
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-19-7-13-23(14-8-19)33(31,32)28(2)22-11-9-20(10-12-22)25(30)27-17-21-5-3-4-6-24(21)29-16-15-26-18-29/h3-16,18H,17H2,1-2H3,(H,27,30)
InChIKeyCUPIYCVCRCCDKT-UHFFFAOYSA-N
XLogP3.94
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 92671763
4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 46772327
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28633540
N-[(2-methoxyphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1305730
N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 92679723
N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771026
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 30394400
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 46773015
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 47079264
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide
CID 131914367
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 92680681) is N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)cc1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is CUPIYCVCRCCDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-19-7-13-23(14-8-19)33(31,32)28(2)22-11-9-20(10-12-22)25(30)27-17-21-5-3-4-6-24(21)29-16-15-26-18-29/h3-16,18H,17H2,1-2H3,(H,27,30).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 460.56 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 92680681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).