N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C22H20N2O3S — CID 9341925

IUPACN-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-17-7-5-6-10-21(17)23-22(25)19-11-13-20(14-12-19)24-28(26,27)16-15-18-8-3-2-4-9-18/h2-16,24H,1H3,(H,23,25)/b16-15+
InChIKeyFZEMILRPYKPGBU-FOCLMDBBSA-N
MW392.48 g/mol
LogP4.66
Rot. Bonds6

About N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 9341925) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID9341925
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-17-7-5-6-10-21(17)23-22(25)19-11-13-20(14-12-19)24-28(26,27)16-15-18-8-3-2-4-9-18/h2-16,24H,1H3,(H,23,25)/b16-15+
InChIKeyFZEMILRPYKPGBU-FOCLMDBBSA-N
XLogP4.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55692087
N-(3-methyl-2-pyridinyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24981657
N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9164162
ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
CID 24640952
N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 33033292
N-(4-ethoxyphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24638590
N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 17480120
N-(3-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27256502
4-[[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315088
1-phenyl-3-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]thiourea
CID 24644076
N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 6218294
(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
CID 26950528

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 9341925) is N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is FZEMILRPYKPGBU-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-17-7-5-6-10-21(17)23-22(25)19-11-13-20(14-12-19)24-28(26,27)16-15-18-8-3-2-4-9-18/h2-16,24H,1H3,(H,23,25)/b16-15+.
What are the key properties of N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 392.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 9341925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).