N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

C21H25N3O5S — CID 16573863

IUPACN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-16-5-3-4-6-19(16)22-30(27,28)18-9-7-17(8-10-18)21(26)23(2)15-20(25)24-11-13-29-14-12-24/h3-10,22H,11-15H2,1-2H3
InChIKeyVLJQPSRKLGPWDL-UHFFFAOYSA-N
MW431.51 g/mol
LogP1.73
Rot. Bonds6

About N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (PubChem CID 16573863) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
PubChem CID16573863
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H25N3O5S/c1-16-5-3-4-6-19(16)22-30(27,28)18-9-7-17(8-10-18)21(26)23(2)15-20(25)24-11-13-29-14-12-24/h3-10,22H,11-15H2,1-2H3
InChIKeyVLJQPSRKLGPWDL-UHFFFAOYSA-N
XLogP1.73
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9305406
N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282
N-(2-methyl-2-morpholin-4-ylpropyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 24982802
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27773866
N-[2-(dimethylamino)-2-oxoethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 9227034
N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025563
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020437
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9227970
4-[(2,3-dimethylphenyl)sulfamoyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510258
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 86976183
2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 78880040

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The IUPAC name of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (CID 16573863) is N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.
What is the SMILES notation for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The canonical SMILES for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The InChIKey is VLJQPSRKLGPWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-16-5-3-4-6-19(16)22-30(27,28)18-9-7-17(8-10-18)21(26)23(2)15-20(25)24-11-13-29-14-12-24/h3-10,22H,11-15H2,1-2H3.
What are the key properties of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide has a molecular weight of 431.51 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is sourced from PubChem (CID 16573863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).