[1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone

C22H25NO2S — CID 70526697

IUPAC[1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone
SMILESCCS(=O)CCC(C)n1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H25NO2S/c1-4-26(25)15-14-16(2)23-17(3)21(19-12-8-9-13-20(19)23)22(24)18-10-6-5-7-11-18/h5-13,16H,4,14-15H2,1-3H3
InChIKeyOMXRHSRYFFQBQR-UHFFFAOYSA-N
MW367.51 g/mol
LogP4.90
Rot. Bonds7

About [1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone

[1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone (PubChem CID 70526697) has the molecular formula C22H25NO2S and a molecular weight of 367.51 g/mol. Its IUPAC name is [1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone
PubChem CID70526697
Molecular FormulaC22H25NO2S
Molecular Weight367.51 g/mol
Exact Mass367.16
IUPAC Name[1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone
SMILESCCS(=O)CCC(C)n1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H25NO2S/c1-4-26(25)15-14-16(2)23-17(3)21(19-12-8-9-13-20(19)23)22(24)18-10-6-5-7-11-18/h5-13,16H,4,14-15H2,1-3H3
InChIKeyOMXRHSRYFFQBQR-UHFFFAOYSA-N
XLogP4.90
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
The IUPAC name of [1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone (CID 70526697) is [1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
The canonical SMILES for [1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone is CCS(=O)CCC(C)n1c(C)c(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
The InChIKey is OMXRHSRYFFQBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2S/c1-4-26(25)15-14-16(2)23-17(3)21(19-12-8-9-13-20(19)23)22(24)18-10-6-5-7-11-18/h5-13,16H,4,14-15H2,1-3H3.
What are the key properties of [1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
[1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone has a molecular weight of 367.51 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone is sourced from PubChem (CID 70526697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).