2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide

C17H26N2O4S — CID 73138946

IUPAC2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide
SMILESCCC1CN(S(=O)(=O)c2ccccc2)CCC1CC(=O)NCCO
InChIInChI=1S/C17H26N2O4S/c1-2-14-13-19(24(22,23)16-6-4-3-5-7-16)10-8-15(14)12-17(21)18-9-11-20/h3-7,14-15,20H,2,8-13H2,1H3,(H,18,21)
InChIKeySHEDWZZLYLVTQU-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.22
Rot. Bonds7

About 2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide

2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 73138946) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID73138946
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide
SMILESCCC1CN(S(=O)(=O)c2ccccc2)CCC1CC(=O)NCCO
InChIInChI=1S/C17H26N2O4S/c1-2-14-13-19(24(22,23)16-6-4-3-5-7-16)10-8-15(14)12-17(21)18-9-11-20/h3-7,14-15,20H,2,8-13H2,1H3,(H,18,21)
InChIKeySHEDWZZLYLVTQU-UHFFFAOYSA-N
XLogP1.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-propylacetamide
CID 11912071
2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40780267
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide
CID 91907615
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 163182330
methyl 1-[2-[(3S,4S)-3-ethyl-1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetyl]piperidine-4-carboxylate
CID 162813466
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(diethylamino)propyl]acetamide
CID 110353175
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 50767993
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-bromophenyl)methyl]acetamide
CID 46294835
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
2-[(3S,4S)-3-ethyl-1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-morpholin-4-ylethanone
CID 162999498
(3S)-1-(benzenesulfonyl)-N-pentylpiperidine-3-carboxamide
CID 38767342

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide (CID 73138946) is 2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide is CCC1CN(S(=O)(=O)c2ccccc2)CCC1CC(=O)NCCO.
What is the InChIKey of 2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is SHEDWZZLYLVTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-2-14-13-19(24(22,23)16-6-4-3-5-7-16)10-8-15(14)12-17(21)18-9-11-20/h3-7,14-15,20H,2,8-13H2,1H3,(H,18,21).
What are the key properties of 2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide?
2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 354.47 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 73138946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).