2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

C21H26N2O3S — CID 110824116

IUPAC2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESCN(CC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-22(16-18-8-4-2-5-9-18)17-21(24)19-10-12-20(13-11-19)27(25,26)23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-17H2,1H3
InChIKeyYXLOQKZCBJXACH-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.18
Rot. Bonds7

About 2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone (PubChem CID 110824116) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
PubChem CID110824116
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
SMILESCN(CC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-22(16-18-8-4-2-5-9-18)17-21(24)19-10-12-20(13-11-19)27(25,26)23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-17H2,1H3
InChIKeyYXLOQKZCBJXACH-UHFFFAOYSA-N
XLogP3.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 9098546
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51180384
N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51147794
2-[benzyl(methyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 27133695
2-[(4-fluorophenyl)methyl-pyridin-2-ylamino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110828198
[2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 23880152
2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8907976
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[benzyl(ethyl)amino]acetamide
CID 8563826
2-[benzyl(ethyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8541265
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 27831858
N-benzyl-N-cyclopropyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 46420855

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone (CID 110824116) is 2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone is CN(CC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
The InChIKey is YXLOQKZCBJXACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-22(16-18-8-4-2-5-9-18)17-21(24)19-10-12-20(13-11-19)27(25,26)23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-17H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone?
2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone has a molecular weight of 386.52 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110824116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).