N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide

C23H26N4O4S — CID 55517655

IUPACN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H26N4O4S/c1-2-31-20-12-11-18(15-21(20)32(29,30)27-13-7-4-8-14-27)25-23(28)19-16-24-26-22(19)17-9-5-3-6-10-17/h3,5-6,9-12,15-16H,2,4,7-8,13-14H2,1H3,(H,24,26)(H,25,28)
InChIKeyLASAAXXFEBQKDU-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.90
Rot. Bonds7

About N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 55517655) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID55517655
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H26N4O4S/c1-2-31-20-12-11-18(15-21(20)32(29,30)27-13-7-4-8-14-27)25-23(28)19-16-24-26-22(19)17-9-5-3-6-10-17/h3,5-6,9-12,15-16H,2,4,7-8,13-14H2,1H3,(H,24,26)(H,25,28)
InChIKeyLASAAXXFEBQKDU-UHFFFAOYSA-N
XLogP3.90
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
CID 31527170
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34405095
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823541
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823616
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide
CID 33078976
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-ethylsulfanylbenzamide
CID 24624539
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide
CID 39932948
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 24590368
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzo[f]quinoline-5-carboxamide
CID 55699628
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
CID 7589957

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide (CID 55517655) is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide is CCOc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is LASAAXXFEBQKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-2-31-20-12-11-18(15-21(20)32(29,30)27-13-7-4-8-14-27)25-23(28)19-16-24-26-22(19)17-9-5-3-6-10-17/h3,5-6,9-12,15-16H,2,4,7-8,13-14H2,1H3,(H,24,26)(H,25,28).
What are the key properties of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide?
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 55517655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).