4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide

C26H29N3O4S — CID 31444660

IUPAC4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O4S/c1-28(23-10-6-3-7-11-23)34(31,32)24-14-12-22(13-15-24)26(30)27-25(21-8-4-2-5-9-21)20-29-16-18-33-19-17-29/h2-15,25H,16-20H2,1H3,(H,27,30)/t25-/m0/s1
InChIKeyCPUSPWKOVBWZEX-VWLOTQADSA-N
MW479.60 g/mol
LogP3.32
Rot. Bonds8

About 4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide

4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide (PubChem CID 31444660) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
PubChem CID31444660
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O4S/c1-28(23-10-6-3-7-11-23)34(31,32)24-14-12-22(13-15-24)26(30)27-25(21-8-4-2-5-9-21)20-29-16-18-33-19-17-29/h2-15,25H,16-20H2,1H3,(H,27,30)/t25-/m0/s1
InChIKeyCPUSPWKOVBWZEX-VWLOTQADSA-N
XLogP3.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 31909479
4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31397272
4-(benzenesulfonamido)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31429984
4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 92646480
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-phenylpropyl]benzamide
CID 92683507
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444209
4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-phenylpropyl]benzamide
CID 28633363

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide (CID 31444660) is 4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The InChIKey is CPUSPWKOVBWZEX-VWLOTQADSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-28(23-10-6-3-7-11-23)34(31,32)24-14-12-22(13-15-24)26(30)27-25(21-8-4-2-5-9-21)20-29-16-18-33-19-17-29/h2-15,25H,16-20H2,1H3,(H,27,30)/t25-/m0/s1.
What are the key properties of 4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide?
4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide has a molecular weight of 479.60 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide is sourced from PubChem (CID 31444660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).