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

C25H30N4O4S — CID 53139538

IUPAC4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(Cn3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)cc2)c1
InChIInChI=1S/C25H30N4O4S/c1-17-5-6-18(2)23(15-17)26-25(30)22-9-7-21(8-10-22)16-29-20(4)24(19(3)27-29)34(31,32)28-11-13-33-14-12-28/h5-10,15H,11-14,16H2,1-4H3,(H,26,30)
InChIKeyYDJJIFISTAYXIE-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.44
Rot. Bonds6

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

4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide (PubChem CID 53139538) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide
PubChem CID53139538
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(Cn3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)cc2)c1
InChIInChI=1S/C25H30N4O4S/c1-17-5-6-18(2)23(15-17)26-25(30)22-9-7-21(8-10-22)16-29-20(4)24(19(3)27-29)34(31,32)28-11-13-33-14-12-28/h5-10,15H,11-14,16H2,1-4H3,(H,26,30)
InChIKeyYDJJIFISTAYXIE-UHFFFAOYSA-N
XLogP3.44
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]-N-(2,5-dimethylphenyl)benzamide
CID 53139501
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 53139562
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 53139549
N-(2,4-dimethylphenyl)-4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]benzamide
CID 53139440
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-methylphenyl)methyl]benzamide
CID 53139563
4-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 53139514
4-[[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methyl]-N-(2-methylphenyl)benzamide
CID 53139500
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-(2,3-dimethylphenyl)benzamide
CID 53139572
4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 8668021
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(2-methylsulfanylphenyl)benzamide
CID 53139475

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide (CID 53139538) is 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide is Cc1ccc(C)c(NC(=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)benzamide?
The InChIKey is YDJJIFISTAYXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-17-5-6-18(2)23(15-17)26-25(30)22-9-7-21(8-10-22)16-29-20(4)24(19(3)27-29)34(31,32)28-11-13-33-14-12-28/h5-10,15H,11-14,16H2,1-4H3,(H,26,30).
What are the key properties of 4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide?
4-[(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide has a molecular weight of 482.61 g/mol, XLogP of 3.44, 6 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)benzamide is sourced from PubChem (CID 53139538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).