N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide

C24H22N4O3S — CID 118712544

IUPACN-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide
SMILESO=C(NCC(c1ccccc1)n1ccnc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H22N4O3S/c29-24(26-17-23(28-16-15-25-18-28)19-7-3-1-4-8-19)20-11-13-22(14-12-20)32(30,31)27-21-9-5-2-6-10-21/h1-16,18,23,27H,17H2,(H,26,29)
InChIKeyYCFUYXAFXKMNLF-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.70
Rot. Bonds8

About N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide

N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide (PubChem CID 118712544) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide
PubChem CID118712544
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide
SMILESO=C(NCC(c1ccccc1)n1ccnc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H22N4O3S/c29-24(26-17-23(28-16-15-25-18-28)19-7-3-1-4-8-19)20-11-13-22(14-12-20)32(30,31)27-21-9-5-2-6-10-21/h1-16,18,23,27H,17H2,(H,26,29)
InChIKeyYCFUYXAFXKMNLF-UHFFFAOYSA-N
XLogP3.70
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide (CID 118712544) is N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide is O=C(NCC(c1ccccc1)n1ccnc1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide?
The InChIKey is YCFUYXAFXKMNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c29-24(26-17-23(28-16-15-25-18-28)19-7-3-1-4-8-19)20-11-13-22(14-12-20)32(30,31)27-21-9-5-2-6-10-21/h1-16,18,23,27H,17H2,(H,26,29).
What are the key properties of N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide?
N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide has a molecular weight of 446.53 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 118712544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).