3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide

C26H29N3O4S — CID 31444209

IUPAC3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESO=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H29N3O4S/c30-26(28-25(22-10-5-2-6-11-22)20-29-14-16-33-17-15-29)23-12-7-13-24(18-23)34(31,32)27-19-21-8-3-1-4-9-21/h1-13,18,25,27H,14-17,19-20H2,(H,28,30)/t25-/m1/s1
InChIKeyIAKURPMXMNBDEV-RUZDIDTESA-N
MW479.60 g/mol
LogP2.97
Rot. Bonds9

About 3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide

3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide (PubChem CID 31444209) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
PubChem CID31444209
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESO=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H29N3O4S/c30-26(28-25(22-10-5-2-6-11-22)20-29-14-16-33-17-15-29)23-12-7-13-24(18-23)34(31,32)27-19-21-8-3-1-4-9-21/h1-13,18,25,27H,14-17,19-20H2,(H,28,30)/t25-/m1/s1
InChIKeyIAKURPMXMNBDEV-RUZDIDTESA-N
XLogP2.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 30102988
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 31909479
4-(benzenesulfonamido)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31429984
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148292
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148289
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9150722
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
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
3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454906
3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 134050340
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 8936210

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide (CID 31444209) is 3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide is O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The InChIKey is IAKURPMXMNBDEV-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29N3O4S/c30-26(28-25(22-10-5-2-6-11-22)20-29-14-16-33-17-15-29)23-12-7-13-24(18-23)34(31,32)27-19-21-8-3-1-4-9-21/h1-13,18,25,27H,14-17,19-20H2,(H,28,30)/t25-/m1/s1.
What are the key properties of 3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide has a molecular weight of 479.60 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide is sourced from PubChem (CID 31444209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).