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

C24H22N4O3S — CID 46771026

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2-n2ccnc2)cc1
InChIInChI=1S/C24H22N4O3S/c1-18-10-12-20(13-11-18)32(30,31)27-22-8-4-3-7-21(22)24(29)26-16-19-6-2-5-9-23(19)28-15-14-25-17-28/h2-15,17,27H,16H2,1H3,(H,26,29)
InChIKeyQXENZKVZUTUCHD-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.91
Rot. Bonds7

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

N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 46771026) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID46771026
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2-n2ccnc2)cc1
InChIInChI=1S/C24H22N4O3S/c1-18-10-12-20(13-11-18)32(30,31)27-22-8-4-3-7-21(22)24(29)26-16-19-6-2-5-9-23(19)28-15-14-25-17-28/h2-15,17,27H,16H2,1H3,(H,26,29)
InChIKeyQXENZKVZUTUCHD-UHFFFAOYSA-N
XLogP3.91
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide
CID 131914367
N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 92680681
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
5-(azepan-1-ylsulfonyl)-N-[(2-imidazol-1-ylphenyl)methyl]-2-methylbenzamide
CID 46763297
3-(benzenesulfonamido)-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 28565306
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 100558623
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28633540
4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide
CID 60580487
N-(2-imidazol-1-ylphenyl)benzenesulfonamide
CID 64592915
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dimethylimidazo[4,5-b]pyridine-7-carboxamide
CID 157017292

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 46771026) is N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2-n2ccnc2)cc1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is QXENZKVZUTUCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-18-10-12-20(13-11-18)32(30,31)27-22-8-4-3-7-21(22)24(29)26-16-19-6-2-5-9-23(19)28-15-14-25-17-28/h2-15,17,27H,16H2,1H3,(H,26,29).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 446.53 g/mol, XLogP of 3.91, 7 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-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46771026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).