2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole

C25H23NO4S — CID 25228635

IUPAC2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole
SMILESCO/C(=C\c1ccc(OC)cc1)c1cc2ccccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H23NO4S/c1-18-8-14-22(15-9-18)31(27,28)26-23-7-5-4-6-20(23)17-24(26)25(30-3)16-19-10-12-21(29-2)13-11-19/h4-17H,1-3H3/b25-16-
InChIKeyNGOWMILILWVIDE-XYGWBWBKSA-N
MW433.53 g/mol
LogP5.34
Rot. Bonds6

About 2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole

2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole (PubChem CID 25228635) has the molecular formula C25H23NO4S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole
PubChem CID25228635
Molecular FormulaC25H23NO4S
Molecular Weight433.53 g/mol
Exact Mass433.13
IUPAC Name2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole
SMILESCO/C(=C\c1ccc(OC)cc1)c1cc2ccccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H23NO4S/c1-18-8-14-22(15-9-18)31(27,28)26-23-7-5-4-6-20(23)17-24(26)25(30-3)16-19-10-12-21(29-2)13-11-19/h4-17H,1-3H3/b25-16-
InChIKeyNGOWMILILWVIDE-XYGWBWBKSA-N
XLogP5.34
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
CID 10603182
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332
2-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 19047864
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
CID 102128726
1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone
CID 126653033
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
1-[1-(benzenesulfonyl)indol-2-yl]-3-methylbut-2-en-1-one
CID 23254190
1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole
CID 146169896
dimethyl (Z)-2-[1-(benzenesulfonyl)indol-2-yl]-3-(1-methylpyrrol-2-yl)but-2-enedioate
CID 10600714
1-(benzenesulfonyl)indole-2-carbonyl chloride
CID 2776221

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole (CID 25228635) is 2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole is CO/C(=C\c1ccc(OC)cc1)c1cc2ccccc2n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole?
The InChIKey is NGOWMILILWVIDE-XYGWBWBKSA-N. The full InChI is InChI=1S/C25H23NO4S/c1-18-8-14-22(15-9-18)31(27,28)26-23-7-5-4-6-20(23)17-24(26)25(30-3)16-19-10-12-21(29-2)13-11-19/h4-17H,1-3H3/b25-16-.
What are the key properties of 2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole?
2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole has a molecular weight of 433.53 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 25228635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).