1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one

C23H33N3O4S — CID 50767720

IUPAC1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one
SMILESCCC1CCCCN1C(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C23H33N3O4S/c1-4-17-9-5-6-14-25(17)21(27)16-26-20-11-10-18(15-19(20)23(2,3)22(26)28)31(29,30)24-12-7-8-13-24/h10-11,15,17H,4-9,12-14,16H2,1-3H3
InChIKeyJKFSVBVJJUGYMS-UHFFFAOYSA-N
MW447.60 g/mol
LogP2.89
Rot. Bonds5

About 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one

1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one (PubChem CID 50767720) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one
PubChem CID50767720
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one
SMILESCCC1CCCCN1C(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C23H33N3O4S/c1-4-17-9-5-6-14-25(17)21(27)16-26-20-11-10-18(15-19(20)23(2,3)22(26)28)31(29,30)24-12-7-8-13-24/h10-11,15,17H,4-9,12-14,16H2,1-3H3
InChIKeyJKFSVBVJJUGYMS-UHFFFAOYSA-N
XLogP2.89
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylindol-2-one
CID 50767646
3,3-dimethyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)indol-2-one
CID 93056067
3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one
CID 50767788
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 55411671
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
CID 50767639
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 50767546
N-butan-2-yl-2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]acetamide
CID 50767842
N-cyclooctyl-2-[3,3-dimethyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
CID 94070581
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 8599736
N-cyclopropyl-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767777
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92714844
2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 8642621

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one (CID 50767720) is 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one is CCC1CCCCN1C(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one?
The InChIKey is JKFSVBVJJUGYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-4-17-9-5-6-14-25(17)21(27)16-26-20-11-10-18(15-19(20)23(2,3)22(26)28)31(29,30)24-12-7-8-13-24/h10-11,15,17H,4-9,12-14,16H2,1-3H3.
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one?
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one has a molecular weight of 447.60 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one is sourced from PubChem (CID 50767720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).