4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide

C24H28N4O3S — CID 26760146

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)cc2)n1
InChIInChI=1S/C24H28N4O3S/c1-17-7-10-21(16-23(17)32(30,31)27-13-5-4-6-14-27)25-24(29)20-8-11-22(12-9-20)28-19(3)15-18(2)26-28/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,29)
InChIKeyKQVIFUOVQKUJSZ-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.22
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 26760146) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID26760146
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)cc2)n1
InChIInChI=1S/C24H28N4O3S/c1-17-7-10-21(16-23(17)32(30,31)27-13-5-4-6-14-27)25-24(29)20-8-11-22(12-9-20)28-19(3)15-18(2)26-28/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,29)
InChIKeyKQVIFUOVQKUJSZ-UHFFFAOYSA-N
XLogP4.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4162856
4-(3,5-dimethylpyrazol-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 39734609
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-pyrazol-1-ylbenzamide
CID 25443780
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3541229
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 25443715
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25443984
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide (CID 26760146) is 4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is KQVIFUOVQKUJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-17-7-10-21(16-23(17)32(30,31)27-13-5-4-6-14-27)25-24(29)20-8-11-22(12-9-20)28-19(3)15-18(2)26-28/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,29).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 26760146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).