N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide

C15H20F2N2O3S — CID 70754305

IUPACN-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O3S/c1-11(20)18-9-8-12-5-2-3-10-19(12)23(21,22)15-13(16)6-4-7-14(15)17/h4,6-7,12H,2-3,5,8-10H2,1H3,(H,18,20)
InChIKeyFICKULMUCPTTHH-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.03
Rot. Bonds5

About N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide

N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide (PubChem CID 70754305) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
PubChem CID70754305
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC NameN-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O3S/c1-11(20)18-9-8-12-5-2-3-10-19(12)23(21,22)15-13(16)6-4-7-14(15)17/h4,6-7,12H,2-3,5,8-10H2,1H3,(H,18,20)
InChIKeyFICKULMUCPTTHH-UHFFFAOYSA-N
XLogP2.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70730171
N-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(2-fluorophenyl)oxamide
CID 41194113
N'-[(2-fluorophenyl)methyl]-N-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194687
N-butyl-N'-[2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 7280365
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-hydroxyethyl)oxamide
CID 16822634
N'-(2,4-difluorophenyl)-N-[2-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574423
N'-[2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N-methyloxamide
CID 7280249
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine
CID 103302532
N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide
CID 70783277
N'-(2,6-dimethylphenyl)-N-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41194610
1-tert-butyl-3-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 7280389
1-[1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79539023

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide (CID 70754305) is N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide is CC(=O)NCCC1CCCCN1S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The InChIKey is FICKULMUCPTTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c1-11(20)18-9-8-12-5-2-3-10-19(12)23(21,22)15-13(16)6-4-7-14(15)17/h4,6-7,12H,2-3,5,8-10H2,1H3,(H,18,20).
What are the key properties of N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide has a molecular weight of 346.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 70754305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).