N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide

C26H26N4O3S — CID 134027622

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H26N4O3S/c31-26(28-15-14-25-27-16-17-30(25)20-22-10-5-2-6-11-22)23-12-7-13-24(18-23)34(32,33)29-19-21-8-3-1-4-9-21/h1-13,16-18,29H,14-15,19-20H2,(H,28,31)
InChIKeyKVHFFVWMWUPFHW-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.38
Rot. Bonds10

About N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide (PubChem CID 134027622) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide
PubChem CID134027622
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H26N4O3S/c31-26(28-15-14-25-27-16-17-30(25)20-22-10-5-2-6-11-22)23-12-7-13-24(18-23)34(32,33)29-19-21-8-3-1-4-9-21/h1-13,16-18,29H,14-15,19-20H2,(H,28,31)
InChIKeyKVHFFVWMWUPFHW-UHFFFAOYSA-N
XLogP3.38
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide
CID 25358093
N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
CID 55659262
N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 134039749
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
N-[2-(1-benzylimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134027547
3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
CID 60598425
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 86919898
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 134027438
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide (CID 134027622) is N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide is O=C(NCCc1nccn1Cc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide?
The InChIKey is KVHFFVWMWUPFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c31-26(28-15-14-25-27-16-17-30(25)20-22-10-5-2-6-11-22)23-12-7-13-24(18-23)34(32,33)29-19-21-8-3-1-4-9-21/h1-13,16-18,29H,14-15,19-20H2,(H,28,31).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide has a molecular weight of 474.59 g/mol, XLogP of 3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide is sourced from PubChem (CID 134027622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).