N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide

C25H28N2O3S — CID 2336942

IUPACN-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1C
InChIInChI=1S/C25H28N2O3S/c1-17-16-18(2)20(4)24(19(17)3)31(29,30)27-23-13-9-8-12-22(23)25(28)26-15-14-21-10-6-5-7-11-21/h5-13,16,27H,14-15H2,1-4H3,(H,26,28)
InChIKeyMWCCCAOPBSWKIB-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.69
Rot. Bonds7

About N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide

N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide (PubChem CID 2336942) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
PubChem CID2336942
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1C
InChIInChI=1S/C25H28N2O3S/c1-17-16-18(2)20(4)24(19(17)3)31(29,30)27-23-13-9-8-12-22(23)25(28)26-15-14-21-10-6-5-7-11-21/h5-13,16,27H,14-15H2,1-4H3,(H,26,28)
InChIKeyMWCCCAOPBSWKIB-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2334371
N-(1-benzylpiperidin-1-ium-4-yl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 7040657
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 2333846
hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride
CID 3000011
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2373674
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 7516664
5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 102704827
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide (CID 2336942) is N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1C.
What is the InChIKey of N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide?
The InChIKey is MWCCCAOPBSWKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-17-16-18(2)20(4)24(19(17)3)31(29,30)27-23-13-9-8-12-22(23)25(28)26-15-14-21-10-6-5-7-11-21/h5-13,16,27H,14-15H2,1-4H3,(H,26,28).
What are the key properties of N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide?
N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide has a molecular weight of 436.58 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2336942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).