N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide

C21H29N5O4S — CID 25411559

IUPACN-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccnn2C2CCCC2)c1
InChIInChI=1S/C21H29N5O4S/c1-24(2)31(28,29)17-7-8-19(25-11-13-30-14-12-25)18(15-17)21(27)23-20-9-10-22-26(20)16-5-3-4-6-16/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,23,27)
InChIKeyZOXIFJLYQGDYTI-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.34
Rot. Bonds6

About N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide

N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide (PubChem CID 25411559) has the molecular formula C21H29N5O4S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
PubChem CID25411559
Molecular FormulaC21H29N5O4S
Molecular Weight447.56 g/mol
Exact Mass447.19
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccnn2C2CCCC2)c1
InChIInChI=1S/C21H29N5O4S/c1-24(2)31(28,29)17-7-8-19(25-11-13-30-14-12-25)18(15-17)21(27)23-20-9-10-22-26(20)16-5-3-4-6-16/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,23,27)
InChIKeyZOXIFJLYQGDYTI-UHFFFAOYSA-N
XLogP2.34
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55669437
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
N-(2,3-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8714248
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32587961
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536639
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895
5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide
CID 55669464
ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
CID 56557592
2-chloro-N-(2-cyclopentylpyrazol-3-yl)-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 4798681
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide (CID 25411559) is N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccnn2C2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The InChIKey is ZOXIFJLYQGDYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4S/c1-24(2)31(28,29)17-7-8-19(25-11-13-30-14-12-25)18(15-17)21(27)23-20-9-10-22-26(20)16-5-3-4-6-16/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,23,27).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide has a molecular weight of 447.56 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 25411559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).