N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide

C21H25N3O6S — CID 45352565

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide
SMILESCN(CC1COc2ccccc2O1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1
InChIInChI=1S/C21H25N3O6S/c1-23(13-15-14-29-19-4-2-3-5-20(19)30-15)21(25)17-12-16(31(22,26)27)6-7-18(17)24-8-10-28-11-9-24/h2-7,12,15H,8-11,13-14H2,1H3,(H2,22,26,27)
InChIKeyRTXOUNCDCLOMEP-UHFFFAOYSA-N
MW447.51 g/mol
LogP1.08
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide (PubChem CID 45352565) has the molecular formula C21H25N3O6S and a molecular weight of 447.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide
PubChem CID45352565
Molecular FormulaC21H25N3O6S
Molecular Weight447.51 g/mol
Exact Mass447.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide
SMILESCN(CC1COc2ccccc2O1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1
InChIInChI=1S/C21H25N3O6S/c1-23(13-15-14-29-19-4-2-3-5-20(19)30-15)21(25)17-12-16(31(22,26)27)6-7-18(17)24-8-10-28-11-9-24/h2-7,12,15H,8-11,13-14H2,1H3,(H2,22,26,27)
InChIKeyRTXOUNCDCLOMEP-UHFFFAOYSA-N
XLogP1.08
TPSA111.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 42908422
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-morpholin-4-yl-3-nitrobenzamide
CID 42905030
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 43009601
5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-sulfamoylthiophene-3-carboxamide
CID 124877371
2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119358812
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,4-trimethylbenzamide
CID 51144829
5-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-hydroxy-N-methylbenzamide
CID 93239747
2,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
CID 55329965
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,5-trimethylfuran-3-carboxamide
CID 112792039
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31981968
N-(2,2-diphenylethyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 17415944

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide (CID 45352565) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide is CN(CC1COc2ccccc2O1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide?
The InChIKey is RTXOUNCDCLOMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6S/c1-23(13-15-14-29-19-4-2-3-5-20(19)30-15)21(25)17-12-16(31(22,26)27)6-7-18(17)24-8-10-28-11-9-24/h2-7,12,15H,8-11,13-14H2,1H3,(H2,22,26,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide has a molecular weight of 447.51 g/mol, XLogP of 1.08, 5 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)-N-methyl-2-morpholin-4-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 45352565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).