4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide

C30H31N3O3S — CID 44665683

IUPAC4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide
SMILESO=C(NCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C30H31N3O3S/c34-30(28-18-16-25(17-19-28)22-32-37(35,36)29-14-8-3-9-15-29)31-20-21-33(23-26-10-4-1-5-11-26)24-27-12-6-2-7-13-27/h1-19,32H,20-24H2,(H,31,34)
InChIKeyVGDBZXXPXMPUSW-UHFFFAOYSA-N
MW513.66 g/mol
LogP4.60
Rot. Bonds12

About 4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide

4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide (PubChem CID 44665683) has the molecular formula C30H31N3O3S and a molecular weight of 513.66 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide
PubChem CID44665683
Molecular FormulaC30H31N3O3S
Molecular Weight513.66 g/mol
Exact Mass513.21
IUPAC Name4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide
SMILESO=C(NCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C30H31N3O3S/c34-30(28-18-16-25(17-19-28)22-32-37(35,36)29-14-8-3-9-15-29)31-20-21-33(23-26-10-4-1-5-11-26)24-27-12-6-2-7-13-27/h1-19,32H,20-24H2,(H,31,34)
InChIKeyVGDBZXXPXMPUSW-UHFFFAOYSA-N
XLogP4.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.66
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[benzyl(methyl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 20854214
N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
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N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-tert-butylphenyl)sulfonylamino]methyl]benzamide
CID 45115588
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
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CID 15990884
4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 109059643
4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 55428597
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109060284
4-(benzylsulfamoyl)benzoate
CID 4743721
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide (CID 44665683) is 4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide is O=C(NCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide?
The InChIKey is VGDBZXXPXMPUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3S/c34-30(28-18-16-25(17-19-28)22-32-37(35,36)29-14-8-3-9-15-29)31-20-21-33(23-26-10-4-1-5-11-26)24-27-12-6-2-7-13-27/h1-19,32H,20-24H2,(H,31,34).
What are the key properties of 4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide?
4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide has a molecular weight of 513.66 g/mol, XLogP of 4.60, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-[2-(dibenzylamino)ethyl]benzamide is sourced from PubChem (CID 44665683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).