5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C24H29N5O4S — CID 16625939

IUPAC5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C24H29N5O4S/c1-27(2)34(31,32)21-8-9-23(28-12-14-33-15-13-28)22(16-21)24(30)25-17-19-6-3-4-7-20(19)18-29-11-5-10-26-29/h3-11,16H,12-15,17-18H2,1-2H3,(H,25,30)
InChIKeyZDUKQQAQMSFPSU-UHFFFAOYSA-N
MW483.59 g/mol
LogP1.95
Rot. Bonds8

About 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 16625939) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID16625939
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C24H29N5O4S/c1-27(2)34(31,32)21-8-9-23(28-12-14-33-15-13-28)22(16-21)24(30)25-17-19-6-3-4-7-20(19)18-29-11-5-10-26-29/h3-11,16H,12-15,17-18H2,1-2H3,(H,25,30)
InChIKeyZDUKQQAQMSFPSU-UHFFFAOYSA-N
XLogP1.95
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55582883
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32587961
5-(dimethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-morpholin-4-ylbenzamide;hydrochloride
CID 119505395
ethyl N-[2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]ethyl]carbamate
CID 56557592
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536639
5-(dimethylsulfamoyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55669624
5-(dimethylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 55638218
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 42908422
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 25328833
5-(dimethylsulfamoyl)-N-[[(4R)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-2-morpholin-4-ylbenzamide
CID 51966680
N-(2-cyclopentylpyrazol-3-yl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 25411559

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 16625939) is 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccccc2Cn2cccn2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is ZDUKQQAQMSFPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-27(2)34(31,32)21-8-9-23(28-12-14-33-15-13-28)22(16-21)24(30)25-17-19-6-3-4-7-20(19)18-29-11-5-10-26-29/h3-11,16H,12-15,17-18H2,1-2H3,(H,25,30).
What are the key properties of 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 483.59 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 16625939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).