cyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone

C20H28N2O3S — CID 3245631

IUPACcyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone
SMILESCCC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1
InChIInChI=1S/C20H28N2O3S/c1-2-17-8-3-4-12-22(17)26(24,25)18-9-10-19-16(14-18)11-13-21(19)20(23)15-6-5-7-15/h9-10,14-15,17H,2-8,11-13H2,1H3
InChIKeyOFSUPMNXHDGMAU-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.33
Rot. Bonds4

About cyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone

cyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 3245631) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is cyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone
PubChem CID3245631
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Namecyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone
SMILESCCC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1
InChIInChI=1S/C20H28N2O3S/c1-2-17-8-3-4-12-22(17)26(24,25)18-9-10-19-16(14-18)11-13-21(19)20(23)15-6-5-7-15/h9-10,14-15,17H,2-8,11-13H2,1H3
InChIKeyOFSUPMNXHDGMAU-UHFFFAOYSA-N
XLogP3.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
2-(1,2-Dihydro-2-oxo-1-(phenylmethyl)-5-(1-piperidinylsulfonyl)-3H-indol-3-ylidene)propanedinitrile
CID 42618278
2-[5-(Azetidin-1-ylsulfonyl)-1-benzyl-2-oxoindol-3-ylidene]propanedinitrile
CID 42618288
1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 2986661
1-{5-[(2-methylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}ethan-1-one
CID 3597234
1-(2-Methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 3673453
11-oxo-N-phenyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526462
N-(2-cyanoethyl)-N-methyl-11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526473
3-Methyl-6-(piperidine-1-sulfonyl)-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-one
CID 16803351

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of cyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone (CID 3245631) is cyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for cyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone is CCC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is OFSUPMNXHDGMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-2-17-8-3-4-12-22(17)26(24,25)18-9-10-19-16(14-18)11-13-21(19)20(23)15-6-5-7-15/h9-10,14-15,17H,2-8,11-13H2,1H3.
What are the key properties of cyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone?
cyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 376.52 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 3245631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).