N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide

C21H23N5O3S — CID 46686156

IUPACN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C21H23N5O3S/c1-16-10-11-18(30(28,29)25-12-6-3-7-13-25)14-19(16)22-21(27)20-15-26(24-23-20)17-8-4-2-5-9-17/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,22,27)
InChIKeyAARZEJJIRYJYJG-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.00
Rot. Bonds5

About N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide (PubChem CID 46686156) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide
PubChem CID46686156
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C21H23N5O3S/c1-16-10-11-18(30(28,29)25-12-6-3-7-13-25)14-19(16)22-21(27)20-15-26(24-23-20)17-8-4-2-5-9-17/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,22,27)
InChIKeyAARZEJJIRYJYJG-UHFFFAOYSA-N
XLogP3.00
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)triazole-4-carboxamide
CID 60549527
5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 9454137
2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 51126593
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4855900
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 27668000
N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38951839
3-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-oxophthalazine-1-carboxamide
CID 3374362
methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 7695652
1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide
CID 99586321

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide (CID 46686156) is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide?
The InChIKey is AARZEJJIRYJYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-16-10-11-18(30(28,29)25-12-6-3-7-13-25)14-19(16)22-21(27)20-15-26(24-23-20)17-8-4-2-5-9-17/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,22,27).
What are the key properties of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide?
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46686156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).