3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide

C22H22N2O3S — CID 18275795

IUPAC3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H22N2O3S/c25-22(23-15-14-18-8-3-1-4-9-18)20-12-7-13-21(16-20)28(26,27)24-17-19-10-5-2-6-11-19/h1-13,16,24H,14-15,17H2,(H,23,25)
InChIKeyUJMMLUXZJLCBOI-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.14
Rot. Bonds8

About 3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide

3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide (PubChem CID 18275795) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide
PubChem CID18275795
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H22N2O3S/c25-22(23-15-14-18-8-3-1-4-9-18)20-12-7-13-21(16-20)28(26,27)24-17-19-10-5-2-6-11-19/h1-13,16,24H,14-15,17H2,(H,23,25)
InChIKeyUJMMLUXZJLCBOI-UHFFFAOYSA-N
XLogP3.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide (CID 18275795) is 3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide?
The InChIKey is UJMMLUXZJLCBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-22(23-15-14-18-8-3-1-4-9-18)20-12-7-13-21(16-20)28(26,27)24-17-19-10-5-2-6-11-19/h1-13,16,24H,14-15,17H2,(H,23,25).
What are the key properties of 3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide?
3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 18275795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).