4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

C25H28N2O3S — CID 3595428

IUPAC4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-25(2,3)21-11-9-20(10-12-21)24(28)27-22-13-15-23(16-14-22)31(29,30)26-18-17-19-7-5-4-6-8-19/h4-16,26H,17-18H2,1-3H3,(H,27,28)
InChIKeyVJSBFBCIMVJILB-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.76
Rot. Bonds7

About 4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (PubChem CID 3595428) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
PubChem CID3595428
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-25(2,3)21-11-9-20(10-12-21)24(28)27-22-13-15-23(16-14-22)31(29,30)26-18-17-19-7-5-4-6-8-19/h4-16,26H,17-18H2,1-3H3,(H,27,28)
InChIKeyVJSBFBCIMVJILB-UHFFFAOYSA-N
XLogP4.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 5049971
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983
4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17309261
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4956301
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
4-methyl-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5191397
N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17224948
N-[4-(ethylsulfamoyl)phenyl]-4-[(2-phenylacetyl)amino]benzamide
CID 17119617

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (CID 3595428) is 4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The InChIKey is VJSBFBCIMVJILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-25(2,3)21-11-9-20(10-12-21)24(28)27-22-13-15-23(16-14-22)31(29,30)26-18-17-19-7-5-4-6-8-19/h4-16,26H,17-18H2,1-3H3,(H,27,28).
What are the key properties of 4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide has a molecular weight of 436.58 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 3595428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).