N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide

C25H25N3O4S — CID 24676587

IUPACN-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O4S/c1-19-11-13-20(14-12-19)15-16-33(31,32)27-18-24(29)28-23-10-6-5-9-22(23)25(30)26-17-21-7-3-2-4-8-21/h2-16,27H,17-18H2,1H3,(H,26,30)(H,28,29)/b16-15+
InChIKeyKAWJZFSOVPRWHX-FOCLMDBBSA-N
MW463.56 g/mol
LogP3.45
Rot. Bonds9

About N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide

N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide (PubChem CID 24676587) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide
PubChem CID24676587
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O4S/c1-19-11-13-20(14-12-19)15-16-33(31,32)27-18-24(29)28-23-10-6-5-9-22(23)25(30)26-17-21-7-3-2-4-8-21/h2-16,27H,17-18H2,1H3,(H,26,30)(H,28,29)/b16-15+
InChIKeyKAWJZFSOVPRWHX-FOCLMDBBSA-N
XLogP3.45
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[3-(4-methylphenyl)prop-2-enoylcarbamothioylamino]benzamide
CID 4930656
N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 17320578
[2-(2-acetylanilino)-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 18281560
N-(2-fluorophenyl)-2-[[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 42766043
N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154248
N-benzyl-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 92646177
N-(3-ethylphenyl)-2-[2-(4-methylphenyl)ethenylsulfonylamino]acetamide
CID 78785642
3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 7995029
N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 9105774
N-benzyl-2-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126029957
N-benzyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119679545
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide (CID 24676587) is N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide is Cc1ccc(/C=C/S(=O)(=O)NCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide?
The InChIKey is KAWJZFSOVPRWHX-FOCLMDBBSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-19-11-13-20(14-12-19)15-16-33(31,32)27-18-24(29)28-23-10-6-5-9-22(23)25(30)26-17-21-7-3-2-4-8-21/h2-16,27H,17-18H2,1H3,(H,26,30)(H,28,29)/b16-15+.
What are the key properties of N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide?
N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide has a molecular weight of 463.56 g/mol, XLogP of 3.45, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]benzamide is sourced from PubChem (CID 24676587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).