2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide

C21H30N4O3S — CID 86903057

IUPAC2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
SMILESCCS(=O)(=O)N(C)C1CCN(CC(=O)NCCc2cccc3cccnc23)CC1
InChIInChI=1S/C21H30N4O3S/c1-3-29(27,28)24(2)19-10-14-25(15-11-19)16-20(26)22-13-9-18-7-4-6-17-8-5-12-23-21(17)18/h4-8,12,19H,3,9-11,13-16H2,1-2H3,(H,22,26)
InChIKeyXWSKBYSMXKXZSC-UHFFFAOYSA-N
MW418.56 g/mol
LogP1.64
Rot. Bonds8

About 2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide

2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide (PubChem CID 86903057) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
PubChem CID86903057
Molecular FormulaC21H30N4O3S
Molecular Weight418.56 g/mol
Exact Mass418.20
IUPAC Name2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
SMILESCCS(=O)(=O)N(C)C1CCN(CC(=O)NCCc2cccc3cccnc23)CC1
InChIInChI=1S/C21H30N4O3S/c1-3-29(27,28)24(2)19-10-14-25(15-11-19)16-20(26)22-13-9-18-7-4-6-17-8-5-12-23-21(17)18/h4-8,12,19H,3,9-11,13-16H2,1-2H3,(H,22,26)
InChIKeyXWSKBYSMXKXZSC-UHFFFAOYSA-N
XLogP1.64
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(dimethylamino)piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 138999931
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide
CID 86881963
2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 87019726
N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 86895240
N-methyl-2-[4-(quinolin-8-ylmethyl)piperidin-1-yl]acetamide
CID 110090460
1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 53498297
2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86894891
2-(4-ethoxyphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149201
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 75384041
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 46434974
1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea
CID 51117990

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
The IUPAC name of 2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide (CID 86903057) is 2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide.
What is the SMILES notation for 2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
The canonical SMILES for 2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide is CCS(=O)(=O)N(C)C1CCN(CC(=O)NCCc2cccc3cccnc23)CC1.
What is the InChIKey of 2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
The InChIKey is XWSKBYSMXKXZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-3-29(27,28)24(2)19-10-14-25(15-11-19)16-20(26)22-13-9-18-7-4-6-17-8-5-12-23-21(17)18/h4-8,12,19H,3,9-11,13-16H2,1-2H3,(H,22,26).
What are the key properties of 2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide has a molecular weight of 418.56 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide is sourced from PubChem (CID 86903057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).