3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide

C24H23N5O3S — CID 55717730

IUPAC3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide
SMILESCc1nccn1-c1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)ccn1
InChIInChI=1S/C24H23N5O3S/c1-18-25-12-13-29(18)23-14-20(10-11-26-23)16-27-24(30)21-8-5-9-22(15-21)33(31,32)28-17-19-6-3-2-4-7-19/h2-15,28H,16-17H2,1H3,(H,27,30)
InChIKeyFYEABJDRTHAZFN-UHFFFAOYSA-N
MW461.55 g/mol
LogP2.98
Rot. Bonds8

About 3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide

3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide (PubChem CID 55717730) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide
PubChem CID55717730
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide
SMILESCc1nccn1-c1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)ccn1
InChIInChI=1S/C24H23N5O3S/c1-18-25-12-13-29(18)23-14-20(10-11-26-23)16-27-24(30)21-8-5-9-22(15-21)33(31,32)28-17-19-6-3-2-4-7-19/h2-15,28H,16-17H2,1H3,(H,27,30)
InChIKeyFYEABJDRTHAZFN-UHFFFAOYSA-N
XLogP2.98
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
3-(methylsulfamoyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 37312302
3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
CID 46400175
tert-butyl N-[3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylcarbamoyl]phenyl]carbamate
CID 47036415
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide
CID 134027622
3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753456
2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55913357
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide (CID 55717730) is 3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide is Cc1nccn1-c1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)ccn1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide?
The InChIKey is FYEABJDRTHAZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-18-25-12-13-29(18)23-14-20(10-11-26-23)16-27-24(30)21-8-5-9-22(15-21)33(31,32)28-17-19-6-3-2-4-7-19/h2-15,28H,16-17H2,1H3,(H,27,30).
What are the key properties of 3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide?
3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide has a molecular weight of 461.55 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55717730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).