N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide

C21H27N3O4S — CID 49202639

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(N3CC(C)OC(C)C3)cc2)c1
InChIInChI=1S/C21H27N3O4S/c1-14-5-10-19(29(26,27)22-4)11-20(14)21(25)23-17-6-8-18(9-7-17)24-12-15(2)28-16(3)13-24/h5-11,15-16,22H,12-13H2,1-4H3,(H,23,25)
InChIKeyCHEKYKJHQPCGFL-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.77
Rot. Bonds5

About N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide (PubChem CID 49202639) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
PubChem CID49202639
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(N3CC(C)OC(C)C3)cc2)c1
InChIInChI=1S/C21H27N3O4S/c1-14-5-10-19(29(26,27)22-4)11-20(14)21(25)23-17-6-8-18(9-7-17)24-12-15(2)28-16(3)13-24/h5-11,15-16,22H,12-13H2,1-4H3,(H,23,25)
InChIKeyCHEKYKJHQPCGFL-UHFFFAOYSA-N
XLogP2.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide 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

5-(tert-butylsulfamoyl)-2-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556234
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide
CID 9303240
N-(4-ethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297821
2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55909075
5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide
CID 55844468
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102935310
N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 166314943
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102938730
N-[4-(cyanomethyl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 35708143
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 49190772
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide (CID 49202639) is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(N3CC(C)OC(C)C3)cc2)c1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide?
The InChIKey is CHEKYKJHQPCGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-14-5-10-19(29(26,27)22-4)11-20(14)21(25)23-17-6-8-18(9-7-17)24-12-15(2)28-16(3)13-24/h5-11,15-16,22H,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide?
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide has a molecular weight of 417.53 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 49202639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).