[1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone

C22H25NO3S — CID 70526326

IUPAC[1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone
SMILESCCC(CS(=O)(=O)CC)n1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H25NO3S/c1-4-18(15-27(25,26)5-2)23-16(3)21(19-13-9-10-14-20(19)23)22(24)17-11-7-6-8-12-17/h6-14,18H,4-5,15H2,1-3H3
InChIKeyKSVRQXOEEHMOSN-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.57
Rot. Bonds7

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

[1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone (PubChem CID 70526326) has the molecular formula C22H25NO3S and a molecular weight of 383.51 g/mol. Its IUPAC name is [1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone
PubChem CID70526326
Molecular FormulaC22H25NO3S
Molecular Weight383.51 g/mol
Exact Mass383.16
IUPAC Name[1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone
SMILESCCC(CS(=O)(=O)CC)n1c(C)c(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H25NO3S/c1-4-18(15-27(25,26)5-2)23-16(3)21(19-13-9-10-14-20(19)23)22(24)17-11-7-6-8-12-17/h6-14,18H,4-5,15H2,1-3H3
InChIKeyKSVRQXOEEHMOSN-UHFFFAOYSA-N
XLogP4.57
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-1-(1-pyridin-2-ylsulfonylpropyl)indol-3-yl]-phenylmethanone
CID 70574762
[1-(1-hydroxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 12852034
[1-(1-ethoxyhexan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526826
[1-(1-ethoxybutyl)-2-methylindol-3-yl]-phenylmethanone
CID 70526186
3-(3-benzoyl-2-methylindol-1-yl)butanal
CID 88732770
[2-methyl-1-(4-phenylsulfanylbutan-2-yl)indol-3-yl]-phenylmethanone
CID 70525880
[1-(1-ethylsulfanylbutyl)-2-methylindol-3-yl]-phenylmethanone
CID 70526821
[1-(1-ethoxypentyl)-2-methylindol-3-yl]-phenylmethanone
CID 70526808
[1-(4-ethylsulfinylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526697
[1-[1-(benzenesulfinyl)butyl]-2-methylindol-3-yl]-phenylmethanone
CID 70526149
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
[1-(7-methoxyheptan-2-yl)-2-methylindol-3-yl]-phenylmethanone
CID 70526497

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
The IUPAC name of [1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone (CID 70526326) is [1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
The canonical SMILES for [1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone is CCC(CS(=O)(=O)CC)n1c(C)c(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
The InChIKey is KSVRQXOEEHMOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3S/c1-4-18(15-27(25,26)5-2)23-16(3)21(19-13-9-10-14-20(19)23)22(24)17-11-7-6-8-12-17/h6-14,18H,4-5,15H2,1-3H3.
What are the key properties of [1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone?
[1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone has a molecular weight of 383.51 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylsulfonylbutan-2-yl)-2-methylindol-3-yl]-phenylmethanone is sourced from PubChem (CID 70526326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).