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

C26H29N3O4S — CID 30102988

IUPAC3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)c2)cc1
InChIInChI=1S/C26H29N3O4S/c1-20-10-12-23(13-11-20)28-34(31,32)24-9-5-8-22(18-24)26(30)27-25(21-6-3-2-4-7-21)19-29-14-16-33-17-15-29/h2-13,18,25,28H,14-17,19H2,1H3,(H,27,30)/t25-/m1/s1
InChIKeyJOCABHFNPNWXLO-RUZDIDTESA-N
MW479.60 g/mol
LogP3.60
Rot. Bonds8

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

3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide (PubChem CID 30102988) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
PubChem CID30102988
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)c2)cc1
InChIInChI=1S/C26H29N3O4S/c1-20-10-12-23(13-11-20)28-34(31,32)24-9-5-8-22(18-24)26(30)27-25(21-6-3-2-4-7-21)19-29-14-16-33-17-15-29/h2-13,18,25,28H,14-17,19H2,1H3,(H,27,30)/t25-/m1/s1
InChIKeyJOCABHFNPNWXLO-RUZDIDTESA-N
XLogP3.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamido)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31429984
3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444209
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 31909479
N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132670888
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 134050340
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148292
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148289

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide (CID 30102988) is 3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)c2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The InChIKey is JOCABHFNPNWXLO-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-20-10-12-23(13-11-20)28-34(31,32)24-9-5-8-22(18-24)26(30)27-25(21-6-3-2-4-7-21)19-29-14-16-33-17-15-29/h2-13,18,25,28H,14-17,19H2,1H3,(H,27,30)/t25-/m1/s1.
What are the key properties of 3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide has a molecular weight of 479.60 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide is sourced from PubChem (CID 30102988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).