N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide

C27H31N3O4S — CID 31909479

IUPACN-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C27H31N3O4S/c1-21-11-13-22(14-12-21)26(20-30-15-17-34-18-16-30)28-27(31)23-7-6-10-25(19-23)35(32,33)29(2)24-8-4-3-5-9-24/h3-14,19,26H,15-18,20H2,1-2H3,(H,28,31)/t26-/m0/s1
InChIKeyDENRECXSYHCZHY-SANMLTNESA-N
MW493.63 g/mol
LogP3.62
Rot. Bonds8

About N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide

N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 31909479) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID31909479
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC NameN-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1ccc([C@H](CN2CCOCC2)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C27H31N3O4S/c1-21-11-13-22(14-12-21)26(20-30-15-17-34-18-16-30)28-27(31)23-7-6-10-25(19-23)35(32,33)29(2)24-8-4-3-5-9-24/h3-14,19,26H,15-18,20H2,1-2H3,(H,28,31)/t26-/m0/s1
InChIKeyDENRECXSYHCZHY-SANMLTNESA-N
XLogP3.62
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444660
3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 30102988
3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444209
3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide
CID 132672050
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 8936210
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148292
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148289
3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 3389026
3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132666889
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 132670833

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide (CID 31909479) is N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide is Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is DENRECXSYHCZHY-SANMLTNESA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-21-11-13-22(14-12-21)26(20-30-15-17-34-18-16-30)28-27(31)23-7-6-10-25(19-23)35(32,33)29(2)24-8-4-3-5-9-24/h3-14,19,26H,15-18,20H2,1-2H3,(H,28,31)/t26-/m0/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 493.63 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 31909479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).