4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide

C26H32N4O4S — CID 53139562

IUPAC4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide
SMILESCc1ccc(C)c(CNC(=O)c2ccc(Cn3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)cc2)c1
InChIInChI=1S/C26H32N4O4S/c1-18-5-6-19(2)24(15-18)16-27-26(31)23-9-7-22(8-10-23)17-30-21(4)25(20(3)28-30)35(32,33)29-11-13-34-14-12-29/h5-10,15H,11-14,16-17H2,1-4H3,(H,27,31)
InChIKeyLOCAPMXTGSCRRD-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.12
Rot. Bonds7

About 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide

4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide (PubChem CID 53139562) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide
PubChem CID53139562
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC Name4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide
SMILESCc1ccc(C)c(CNC(=O)c2ccc(Cn3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)cc2)c1
InChIInChI=1S/C26H32N4O4S/c1-18-5-6-19(2)24(15-18)16-27-26(31)23-9-7-22(8-10-23)17-30-21(4)25(20(3)28-30)35(32,33)29-11-13-34-14-12-29/h5-10,15H,11-14,16-17H2,1-4H3,(H,27,31)
InChIKeyLOCAPMXTGSCRRD-UHFFFAOYSA-N
XLogP3.12
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 53139563
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 53139565
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide
CID 53139538
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 53139579
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 53139549
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 53139483
N-(2,4-dimethylphenyl)-4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]benzamide
CID 53139440
4-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]-N-(2,5-dimethylphenyl)benzamide
CID 53139501
4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 8668021
4-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 53139514
4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 53139373
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-butan-2-ylbenzamide
CID 53139570

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide?
The IUPAC name of 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide (CID 53139562) is 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide is Cc1ccc(C)c(CNC(=O)c2ccc(Cn3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)cc2)c1.
What is the InChIKey of 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide?
The InChIKey is LOCAPMXTGSCRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-18-5-6-19(2)24(15-18)16-27-26(31)23-9-7-22(8-10-23)17-30-21(4)25(20(3)28-30)35(32,33)29-11-13-34-14-12-29/h5-10,15H,11-14,16-17H2,1-4H3,(H,27,31).
What are the key properties of 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide?
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide has a molecular weight of 496.63 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide is sourced from PubChem (CID 53139562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).