4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide

C23H30N4O3S — CID 124959856

IUPAC4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C23H30N4O3S/c1-17-24-16-20(23(28)26-18-10-4-2-5-11-18)22(25-17)21-14-8-9-15-27(21)31(29,30)19-12-6-3-7-13-19/h3,6-7,12-13,16,18,21H,2,4-5,8-11,14-15H2,1H3,(H,26,28)/t21-/m1/s1
InChIKeyGQFMFYQXEMLZMX-OAQYLSRUSA-N
MW442.59 g/mol
LogP3.76
Rot. Bonds5

About 4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide

4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide (PubChem CID 124959856) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
PubChem CID124959856
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C23H30N4O3S/c1-17-24-16-20(23(28)26-18-10-4-2-5-11-18)22(25-17)21-14-8-9-15-27(21)31(29,30)19-12-6-3-7-13-19/h3,6-7,12-13,16,18,21H,2,4-5,8-11,14-15H2,1H3,(H,26,28)/t21-/m1/s1
InChIKeyGQFMFYQXEMLZMX-OAQYLSRUSA-N
XLogP3.76
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640403
N-cyclopropyl-4-[1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085045
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 74238790
N-benzyl-2-methyl-4-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 92640601
5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 92554471
N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110085104
N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085066
4-[1-(1-benzofuran-2-carbonyl)pyrrolidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
CID 110085080
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110248299
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide
CID 42065160

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide (CID 124959856) is 4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCCN2S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide?
The InChIKey is GQFMFYQXEMLZMX-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-17-24-16-20(23(28)26-18-10-4-2-5-11-18)22(25-17)21-14-8-9-15-27(21)31(29,30)19-12-6-3-7-13-19/h3,6-7,12-13,16,18,21H,2,4-5,8-11,14-15H2,1H3,(H,26,28)/t21-/m1/s1.
What are the key properties of 4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide?
4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide has a molecular weight of 442.59 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 124959856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).