N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide

C22H27N3O6S — CID 42908422

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC2COc3ccccc3O2)c1
InChIInChI=1S/C22H27N3O6S/c1-24(2)32(27,28)17-7-8-19(25-9-11-29-12-10-25)18(13-17)22(26)23-14-16-15-30-20-5-3-4-6-21(20)31-16/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,26)
InChIKeyMNYMTJTUZJQGOS-UHFFFAOYSA-N
MW461.54 g/mol
LogP1.34
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide (PubChem CID 42908422) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
PubChem CID42908422
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC2COc3ccccc3O2)c1
InChIInChI=1S/C22H27N3O6S/c1-24(2)32(27,28)17-7-8-19(25-9-11-29-12-10-25)18(13-17)22(26)23-14-16-15-30-20-5-3-4-6-21(20)31-16/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,26)
InChIKeyMNYMTJTUZJQGOS-UHFFFAOYSA-N
XLogP1.34
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(dimethylsulfamoyl)-N-[[(4R)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-2-morpholin-4-ylbenzamide
CID 51966680
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 45352565
N-[(2,4-dimethylphenyl)methyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 55582883
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
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 16556634
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 16625939
N-(2,3-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8714248
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 133250745
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
5-(dimethylsulfamoyl)-2-morpholin-4-yl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32587961
2-[[5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoyl]amino]butanoic acid
CID 119223365

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide (CID 42908422) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC2COc3ccccc3O2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
The InChIKey is MNYMTJTUZJQGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-24(2)32(27,28)17-7-8-19(25-9-11-29-12-10-25)18(13-17)22(26)23-14-16-15-30-20-5-3-4-6-21(20)31-16/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide has a molecular weight of 461.54 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 42908422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).