N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide

C23H23NO3S — CID 122398699

IUPACN-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(/C(=C/NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c1-3-27-21-13-11-20(12-14-21)23(19-7-5-4-6-8-19)17-24-28(25,26)22-15-9-18(2)10-16-22/h4-17,24H,3H2,1-2H3/b23-17+
InChIKeyJLTYFZNRPOTPPR-HAVVHWLPSA-N
MW393.51 g/mol
LogP4.76
Rot. Bonds7

About N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide

N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide (PubChem CID 122398699) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide
PubChem CID122398699
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(/C(=C/NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c1-3-27-21-13-11-20(12-14-21)23(19-7-5-4-6-8-19)17-24-28(25,26)22-15-9-18(2)10-16-22/h4-17,24H,3H2,1-2H3/b23-17+
InChIKeyJLTYFZNRPOTPPR-HAVVHWLPSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide
CID 122398695
N-[3,3-bis(4-ethoxyphenyl)prop-2-enyl]benzenesulfonamide
CID 139646639
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
benzene;1-(4-ethoxyphenyl)sulfonyl-4-methylbenzene;[4-(4-ethoxyphenyl)sulfonylphenyl] methyl carbonate
CID 159893147
(4-methylphenyl) 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 110670646
1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
CID 102129637
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925423
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
CID 19211132
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 6374670

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide (CID 122398699) is N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide is CCOc1ccc(/C(=C/NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide?
The InChIKey is JLTYFZNRPOTPPR-HAVVHWLPSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-3-27-21-13-11-20(12-14-21)23(19-7-5-4-6-8-19)17-24-28(25,26)22-15-9-18(2)10-16-22/h4-17,24H,3H2,1-2H3/b23-17+.
What are the key properties of N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide?
N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-ethoxyphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 122398699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).