N-benzyl-4-(1-phenylethylsulfamoyl)benzamide

C22H22N2O3S — CID 109060541

IUPACN-benzyl-4-(1-phenylethylsulfamoyl)benzamide
SMILESCC(NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H22N2O3S/c1-17(19-10-6-3-7-11-19)24-28(26,27)21-14-12-20(13-15-21)22(25)23-16-18-8-4-2-5-9-18/h2-15,17,24H,16H2,1H3,(H,23,25)
InChIKeyOQJDPZKMBHHCBG-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.66
Rot. Bonds7

About N-benzyl-4-(1-phenylethylsulfamoyl)benzamide

N-benzyl-4-(1-phenylethylsulfamoyl)benzamide (PubChem CID 109060541) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-benzyl-4-(1-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(1-phenylethylsulfamoyl)benzamide
PubChem CID109060541
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-benzyl-4-(1-phenylethylsulfamoyl)benzamide
SMILESCC(NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H22N2O3S/c1-17(19-10-6-3-7-11-19)24-28(26,27)21-14-12-20(13-15-21)22(25)23-16-18-8-4-2-5-9-18/h2-15,17,24H,16H2,1H3,(H,23,25)
InChIKeyOQJDPZKMBHHCBG-UHFFFAOYSA-N
XLogP3.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 27299317
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
N-benzyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1317169
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9032480
N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 78852030
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 18552568
N-[(4-methylphenyl)methyl]-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 4270828
N-[(4-methoxyphenyl)methyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1304675

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(1-phenylethylsulfamoyl)benzamide?
The IUPAC name of N-benzyl-4-(1-phenylethylsulfamoyl)benzamide (CID 109060541) is N-benzyl-4-(1-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for N-benzyl-4-(1-phenylethylsulfamoyl)benzamide?
The canonical SMILES for N-benzyl-4-(1-phenylethylsulfamoyl)benzamide is CC(NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-benzyl-4-(1-phenylethylsulfamoyl)benzamide?
The InChIKey is OQJDPZKMBHHCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-17(19-10-6-3-7-11-19)24-28(26,27)21-14-12-20(13-15-21)22(25)23-16-18-8-4-2-5-9-18/h2-15,17,24H,16H2,1H3,(H,23,25).
What are the key properties of N-benzyl-4-(1-phenylethylsulfamoyl)benzamide?
N-benzyl-4-(1-phenylethylsulfamoyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(1-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 109060541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).