5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide

C25H25N5O3S — CID 24758021

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)cc1
InChIInChI=1S/C25H25N5O3S/c1-30(2)34(32,33)21-11-8-17(9-12-21)19-10-13-23(22(14-19)18-6-4-3-5-7-18)29-25(31)24-27-16-20(15-26)28-24/h6,8-14,16H,3-5,7H2,1-2H3,(H,27,28)(H,29,31)
InChIKeyXIZZKVZLFMDEDB-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.41
Rot. Bonds6

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide (PubChem CID 24758021) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide
PubChem CID24758021
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)cc1
InChIInChI=1S/C25H25N5O3S/c1-30(2)34(32,33)21-11-8-17(9-12-21)19-10-13-23(22(14-19)18-6-4-3-5-7-18)29-25(31)24-27-16-20(15-26)28-24/h6,8-14,16H,3-5,7H2,1-2H3,(H,27,28)(H,29,31)
InChIKeyXIZZKVZLFMDEDB-UHFFFAOYSA-N
XLogP4.41
TPSA118.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide (CID 24758021) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide is CN(C)S(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)cc1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is XIZZKVZLFMDEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-30(2)34(32,33)21-11-8-17(9-12-21)19-10-13-23(22(14-19)18-6-4-3-5-7-18)29-25(31)24-27-16-20(15-26)28-24/h6,8-14,16H,3-5,7H2,1-2H3,(H,27,28)(H,29,31).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[4-(dimethylsulfamoyl)phenyl]phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24758021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).