2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide

C20H22F2N2O4S — CID 110081253

IUPAC2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1(COc2ccccc2)CCCN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C20H22F2N2O4S/c21-16-8-4-9-17(22)19(16)29(26,27)24-11-5-10-20(13-24,12-18(23)25)14-28-15-6-2-1-3-7-15/h1-4,6-9H,5,10-14H2,(H2,23,25)
InChIKeyUVHMYDLDMMJFEK-UHFFFAOYSA-N
MW424.47 g/mol
LogP2.69
Rot. Bonds7

About 2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide

2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide (PubChem CID 110081253) has the molecular formula C20H22F2N2O4S and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide
PubChem CID110081253
Molecular FormulaC20H22F2N2O4S
Molecular Weight424.47 g/mol
Exact Mass424.13
IUPAC Name2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1(COc2ccccc2)CCCN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C20H22F2N2O4S/c21-16-8-4-9-17(22)19(16)29(26,27)24-11-5-10-20(13-24,12-18(23)25)14-28-15-6-2-1-3-7-15/h1-4,6-9H,5,10-14H2,(H2,23,25)
InChIKeyUVHMYDLDMMJFEK-UHFFFAOYSA-N
XLogP2.69
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-(4-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 124977428
2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 124971945
2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 125006010
2-[(3S)-3-[(3-chlorophenoxy)methyl]-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 125014466
2-[(3S)-1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 124974359
2-[3-[(3-chlorophenoxy)methyl]-1-(2,3-dichlorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 110079621
2-[(3R)-3-[(4-chlorophenoxy)methyl]-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]acetamide
CID 125022910
2-[(3R)-1-(2,4-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-piperidin-1-ylethanone
CID 125022566
2-[(3S)-1-(4-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 124971564
2-[(3R)-3-[(3-chlorophenoxy)methyl]-1-[(3-chlorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
CID 125003520
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 124962263
2-[1-(4-fluoro-2-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-piperidin-1-ylethanone
CID 110081474

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide (CID 110081253) is 2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide is NC(=O)CC1(COc2ccccc2)CCCN(S(=O)(=O)c2c(F)cccc2F)C1.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide?
The InChIKey is UVHMYDLDMMJFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4S/c21-16-8-4-9-17(22)19(16)29(26,27)24-11-5-10-20(13-24,12-18(23)25)14-28-15-6-2-1-3-7-15/h1-4,6-9H,5,10-14H2,(H2,23,25).
What are the key properties of 2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide?
2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide has a molecular weight of 424.47 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 110081253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).