39G

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide

Created:	2014-07-11
Last modified:	2015-07-22

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2 entries where 39G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	0
Bond Count	58
Aromatic Bond Count	17

2D diagram of 39G

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Chemical Component Summary
Name	N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)	N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide
Formula	C₂₂ H₂₆ N₄ O₃ S
Molecular Weight	426.532
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N(C)C)c1cc(c(cc1)C)NC(=O)c2c(n(nc2)c3ccccc3)CCC
SMILES	CACTVS	3.385	CCCc1n(ncc1C(=O)Nc2cc(ccc2C)[S](=O)(=O)N(C)C)c3ccccc3
SMILES	OpenEye OEToolkits	1.9.2	CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(ccc3C)S(=O)(=O)N(C)C
Canonical SMILES	CACTVS	3.385	CCCc1n(ncc1C(=O)Nc2cc(ccc2C)[S](=O)(=O)N(C)C)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCc1c(cnn1c2ccccc2)C(=O)Nc3cc(ccc3C)S(=O)(=O)N(C)C
InChI	InChI	1.03	InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
InChIKey	InChI	1.03	MOBKKWWSLMVASV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3393296
PubChem	2812918
ChEMBL	CHEMBL3393296

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.