3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

C22H22N2O3S — CID 4288383

IUPAC3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1
InChIInChI=1S/C22H22N2O3S/c1-17-6-5-9-19(16-17)22(25)24-20-10-12-21(13-11-20)28(26,27)23-15-14-18-7-3-2-4-8-18/h2-13,16,23H,14-15H2,1H3,(H,24,25)
InChIKeyXJLGKTCSZLUNKJ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.77
Rot. Bonds7

About 3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (PubChem CID 4288383) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
PubChem CID4288383
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1
InChIInChI=1S/C22H22N2O3S/c1-17-6-5-9-19(16-17)22(25)24-20-10-12-21(13-11-20)28(26,27)23-15-14-18-7-3-2-4-8-18/h2-13,16,23H,14-15H2,1H3,(H,24,25)
InChIKeyXJLGKTCSZLUNKJ-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17149684
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 5049971
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922
4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17309261
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109065003
4-methyl-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5191397
N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide
CID 38112845
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4956301

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (CID 4288383) is 3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The InChIKey is XJLGKTCSZLUNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-17-6-5-9-19(16-17)22(25)24-20-10-12-21(13-11-20)28(26,27)23-15-14-18-7-3-2-4-8-18/h2-13,16,23H,14-15H2,1H3,(H,24,25).
What are the key properties of 3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide has a molecular weight of 394.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4288383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).