N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide

C23H20N2O3S — CID 9083670

IUPACN-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/Sc2ccccc2)cc1
InChIInChI=1S/C23H20N2O3S/c1-28-21-10-6-5-9-20(21)25-23(27)17-11-13-18(14-12-17)24-22(26)15-16-29-19-7-3-2-4-8-19/h2-16H,1H3,(H,24,26)(H,25,27)/b16-15+
InChIKeyJFOQEIKVULWWDZ-FOCLMDBBSA-N
MW404.49 g/mol
LogP5.19
Rot. Bonds7

About N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide (PubChem CID 9083670) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide
PubChem CID9083670
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/Sc2ccccc2)cc1
InChIInChI=1S/C23H20N2O3S/c1-28-21-10-6-5-9-20(21)25-23(27)17-11-13-18(14-12-17)24-22(26)15-16-29-19-7-3-2-4-8-19/h2-16H,1H3,(H,24,26)(H,25,27)/b16-15+
InChIKeyJFOQEIKVULWWDZ-FOCLMDBBSA-N
XLogP5.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
CID 9453588
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 9244896
N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide
CID 2349234
N-(2-methoxyphenyl)-4-[2-(3-methylphenyl)sulfanylpropanoylamino]benzamide
CID 60594384
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
CID 82023811
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide (CID 9083670) is N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/Sc2ccccc2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide?
The InChIKey is JFOQEIKVULWWDZ-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-28-21-10-6-5-9-20(21)25-23(27)17-11-13-18(14-12-17)24-22(26)15-16-29-19-7-3-2-4-8-19/h2-16H,1H3,(H,24,26)(H,25,27)/b16-15+.
What are the key properties of N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide has a molecular weight of 404.49 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 9083670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).