2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone

C24H28N2O3S — CID 43958345

IUPAC2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H28N2O3S/c1-2-20-12-8-9-15-26(20)24(27)17-25-16-23(21-13-6-7-14-22(21)25)30(28,29)18-19-10-4-3-5-11-19/h3-7,10-11,13-14,16,20H,2,8-9,12,15,17-18H2,1H3
InChIKeyXQIXICDPEHUVCH-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.41
Rot. Bonds6

About 2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone

2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 43958345) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID43958345
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H28N2O3S/c1-2-20-12-8-9-15-26(20)24(27)17-25-16-23(21-13-6-7-14-22(21)25)30(28,29)18-19-10-4-3-5-11-19/h3-7,10-11,13-14,16,20H,2,8-9,12,15,17-18H2,1H3
InChIKeyXQIXICDPEHUVCH-UHFFFAOYSA-N
XLogP4.41
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone
CID 43958360
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 43958432
1-(azepan-1-yl)-2-(3-benzylsulfonylindol-1-yl)ethanone
CID 20902787
2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide
CID 54589378
2-(3-benzylsulfonylindol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 20911073
1-(4-benzylpiperidin-1-yl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]ethanone
CID 30559357
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 43958376
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
2-(3-benzylsulfonylindol-1-yl)-N-butyl-N-ethylacetamide
CID 30558551
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955
1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone
CID 20902781
N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563448

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone (CID 43958345) is 2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is XQIXICDPEHUVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-2-20-12-8-9-15-26(20)24(27)17-25-16-23(21-13-6-7-14-22(21)25)30(28,29)18-19-10-4-3-5-11-19/h3-7,10-11,13-14,16,20H,2,8-9,12,15,17-18H2,1H3.
What are the key properties of 2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 424.57 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43958345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).