N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

C21H23N7O4S — CID 90520287

IUPACN-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
InChIInChI=1S/C21H23N7O4S/c1-15(29)26-33(31,32)18-4-2-17(3-5-18)25-21(30)16-6-9-27(10-7-16)19-12-20(24-13-23-19)28-11-8-22-14-28/h2-5,8,11-14,16H,6-7,9-10H2,1H3,(H,25,30)(H,26,29)
InChIKeyKDFWIAHJOCVMFN-UHFFFAOYSA-N
MW469.53 g/mol
LogP1.34
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 90520287) has the molecular formula C21H23N7O4S and a molecular weight of 469.53 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID90520287
Molecular FormulaC21H23N7O4S
Molecular Weight469.53 g/mol
Exact Mass469.15
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1
InChIInChI=1S/C21H23N7O4S/c1-15(29)26-33(31,32)18-4-2-17(3-5-18)25-21(30)16-6-9-27(10-7-16)19-12-20(24-13-23-19)28-11-8-22-14-28/h2-5,8,11-14,16H,6-7,9-10H2,1H3,(H,25,30)(H,26,29)
InChIKeyKDFWIAHJOCVMFN-UHFFFAOYSA-N
XLogP1.34
TPSA139.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520297
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90520307
N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520304
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 90520313
N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100942
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122291300
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 90520395
N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214
N-(4-sulfamoylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810830
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 119100946
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[3-(methanesulfonamido)phenyl]azetidine-3-carboxamide
CID 122161183
N-(5-chloro-2-cyanophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520351

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 90520287) is N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is KDFWIAHJOCVMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O4S/c1-15(29)26-33(31,32)18-4-2-17(3-5-18)25-21(30)16-6-9-27(10-7-16)19-12-20(24-13-23-19)28-11-8-22-14-28/h2-5,8,11-14,16H,6-7,9-10H2,1H3,(H,25,30)(H,26,29).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 469.53 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90520287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).