1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

C22H23N5O3S — CID 90518997

IUPAC1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1
InChIInChI=1S/C22H23N5O3S/c23-31(29,30)19-8-6-18(7-9-19)26-22(28)17-10-12-27(13-11-17)21-14-20(24-15-25-21)16-4-2-1-3-5-16/h1-9,14-15,17H,10-13H2,(H,26,28)(H2,23,29,30)
InChIKeyDUWVTDJXGLZNPZ-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.65
Rot. Bonds5

About 1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 90518997) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID90518997
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1
InChIInChI=1S/C22H23N5O3S/c23-31(29,30)19-8-6-18(7-9-19)26-22(28)17-10-12-27(13-11-17)21-14-20(24-15-25-21)16-4-2-1-3-5-16/h1-9,14-15,17H,10-13H2,(H,26,28)(H2,23,29,30)
InChIKeyDUWVTDJXGLZNPZ-UHFFFAOYSA-N
XLogP2.65
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062028
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 90519570
N-(4-sulfamoylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810830
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53061964
4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 90516591
N-(3,5-dimethylphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062142
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519041
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168086
N-benzhydryl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519003

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (CID 90518997) is 1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1.
What is the InChIKey of 1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is DUWVTDJXGLZNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c23-31(29,30)19-8-6-18(7-9-19)26-22(28)17-10-12-27(13-11-17)21-14-20(24-15-25-21)16-4-2-1-3-5-16/h1-9,14-15,17H,10-13H2,(H,26,28)(H2,23,29,30).
What are the key properties of 1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 90518997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).