1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone

C22H19NO5S — CID 126653033

IUPAC1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone
SMILESCOc1cc(-c2cc3ccccc3n2S(=O)(=O)c2ccc(C)cc2)oc1C(C)=O
InChIInChI=1S/C22H19NO5S/c1-14-8-10-17(11-9-14)29(25,26)23-18-7-5-4-6-16(18)12-19(23)20-13-21(27-3)22(28-20)15(2)24/h4-13H,1-3H3
InChIKeyBLDUVAQRKAYQAV-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.66
Rot. Bonds5

About 1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone

1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone (PubChem CID 126653033) has the molecular formula C22H19NO5S and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone
PubChem CID126653033
Molecular FormulaC22H19NO5S
Molecular Weight409.46 g/mol
Exact Mass409.10
IUPAC Name1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone
SMILESCOc1cc(-c2cc3ccccc3n2S(=O)(=O)c2ccc(C)cc2)oc1C(C)=O
InChIInChI=1S/C22H19NO5S/c1-14-8-10-17(11-9-14)29(25,26)23-18-7-5-4-6-16(18)12-19(23)20-13-21(27-3)22(28-20)15(2)24/h4-13H,1-3H3
InChIKeyBLDUVAQRKAYQAV-UHFFFAOYSA-N
XLogP4.66
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 139694978
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
2-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 19047864
2-[(Z)-1-methoxy-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylindole
CID 25228635
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332
1-(benzenesulfonyl)-2-(2-methylphenyl)indole
CID 173032867
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
methyl 2-[1-(benzenesulfonyl)indol-2-yl]pyridine-4-carboxylate
CID 10715529
1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole
CID 146169896
1-[5-(3-benzyl-1-methylpyrrol-2-yl)-3-methoxyfuran-2-yl]ethanone;1-[5-(6-chloro-1,1-dioxo-3,4-dihydro-2H-pyrrolo[1,2-b]thiazin-7-yl)-3-methoxyfuran-2-yl]ethanone;5-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-4H-triazole;1-[5-(2-chloro-5,6,7,8-tetrahydroindolizin-3-yl)-3-methoxyfuran-2-yl]ethanone;1-[3-methoxy-5-[1-methyl-3-(2-methylpropyl)pyrrol-2-yl]furan-2-yl]ethanone;1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone;1-[3-methoxy-5-[2-(4-methylphenyl)sulfonylisoindol-1-yl]furan-2-yl]ethanone
CID 159308728
2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
CID 102128726

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone?
The IUPAC name of 1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone (CID 126653033) is 1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone.
What is the SMILES notation for 1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone?
The canonical SMILES for 1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone is COc1cc(-c2cc3ccccc3n2S(=O)(=O)c2ccc(C)cc2)oc1C(C)=O.
What is the InChIKey of 1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone?
The InChIKey is BLDUVAQRKAYQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5S/c1-14-8-10-17(11-9-14)29(25,26)23-18-7-5-4-6-16(18)12-19(23)20-13-21(27-3)22(28-20)15(2)24/h4-13H,1-3H3.
What are the key properties of 1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone?
1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone has a molecular weight of 409.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone is sourced from PubChem (CID 126653033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).