N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide

C19H26F2N2O5S — CID 91906158

IUPACN-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H26F2N2O5S/c1-27-13-19(24)23(15-6-10-28-11-7-15)14-4-8-22(9-5-14)29(25,26)16-2-3-17(20)18(21)12-16/h2-3,12,14-15H,4-11,13H2,1H3
InChIKeyUROPKJYUOCIFMP-UHFFFAOYSA-N
MW432.49 g/mol
LogP1.77
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide

N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide (PubChem CID 91906158) has the molecular formula C19H26F2N2O5S and a molecular weight of 432.49 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
PubChem CID91906158
Molecular FormulaC19H26F2N2O5S
Molecular Weight432.49 g/mol
Exact Mass432.15
IUPAC NameN-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H26F2N2O5S/c1-27-13-19(24)23(15-6-10-28-11-7-15)14-4-8-22(9-5-14)29(25,26)16-2-3-17(20)18(21)12-16/h2-3,12,14-15H,4-11,13H2,1H3
InChIKeyUROPKJYUOCIFMP-UHFFFAOYSA-N
XLogP1.77
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-fluoro-N-[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide
CID 1167452
4-[1-(2,4-Difluorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390375
1-{7-[(3-Fluorophenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}-2-methoxy-1-ethanone
CID 53164948
N-[1-(4-Fluorobenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906122
N-[1-(2-Fluorobenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906124
N-[1-(4-Fluoro-3-methylbenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906125
N-[1-(2,4-Difluorobenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906127
N-[1-(3,5-Difluorobenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906131
N-[1-(5-Fluoro-2-methylbenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906132
N-(Oxan-4-YL)-N-{1-[4-(trifluoromethyl)benzenesulfonyl]piperidin-4-YL}propanamide
CID 91906133
N-[1-(3,4-Difluorobenzenesulfonyl)piperidin-4-YL]-N-(oxan-4-YL)propanamide
CID 91906141
N-[1-(2-Fluorobenzenesulfonyl)piperidin-4-YL]-2-methoxy-N-(oxan-4-YL)acetamide
CID 91906153

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide (CID 91906158) is N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide is COCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The InChIKey is UROPKJYUOCIFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O5S/c1-27-13-19(24)23(15-6-10-28-11-7-15)14-4-8-22(9-5-14)29(25,26)16-2-3-17(20)18(21)12-16/h2-3,12,14-15H,4-11,13H2,1H3.
What are the key properties of N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide has a molecular weight of 432.49 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 91906158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).